2-amino-3-({4-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methoxy]-3-methoxybenzylidene}amino)-2-butenedinitrile
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![2-amino-3-({4-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methoxy]-3-methoxybenzylidene}amino)-2-butenedinitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0596a7768d0144ee878879aece1c2ac9.png "2-amino-3-({4-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methoxy]-3-methoxybenzylidene}amino)-2-butenedinitrile")
2-amino-3-({4-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methoxy]-3-methoxybenzylidene}amino)-2-butenedinitrile
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CAS No:
497060-05-6
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Formula:
C23H19BrN6O3
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Chemical Name:
2-amino-3-({4-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methoxy]-3-methoxybenzylidene}amino)-2-butenedinitrile
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Synonyms:
(2Z)-2-amino-3-[(E)-({4-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methoxy]-3-methoxyphenyl}methylidene)amino]but-2-enedinitrile;497060-05-6;AO-990/15068021;AKOS005109819;ZINC100385018;ZINC252624233;MS-7691;1131604-74-4;2-amino-3-({4-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methoxy]-3-methoxybenzylidene}amino)-2-butenedinitrile
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CAS No:
2-amino-3-({4-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methoxy]-3-methoxybenzylidene}amino)-2-butenedinitrile Basic Attributes
507.33936
506.07
Computed Properties
Molecular Weight:507.3
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:506.07020
Monoisotopic Mass:506.07020
Topological Polar Surface Area:128
Heavy Atom Count:33
Complexity:936
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
2-amino-3-({4-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methoxy]-3-methoxybenzylidene}amino)-2-butenedinitrile
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