2-amino-4-[3-({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile
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![2-amino-4-[3-({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f35e3b9a3bb34885a5eeab693f615af3.png "2-amino-4-[3-({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile")
2-amino-4-[3-({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile
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CAS No:
302904-00-3
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Formula:
C26H25N7O3
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Chemical Name:
2-amino-4-[3-({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile
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Synonyms:
2-amino-4-[3-({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile;Oprea1_444069;AK-968/12021064;STK526536;AKOS004002040;MCULE-7363605098;2-amino-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile;302904-00-3
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CAS No:
2-amino-4-[3-({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile Basic Attributes
483.5218
483.202
Computed Properties
Molecular Weight:483.5
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:483.20188768
Monoisotopic Mass:483.20188768
Topological Polar Surface Area:170
Heavy Atom Count:36
Complexity:1100
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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