[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
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![[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e0f5b7f08b6d43a284216a86a40796a0.png "[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate")
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
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CAS No:
756857-58-6
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Formula:
C21H19N3O5
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Chemical Name:
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
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Synonyms:
MLS000097796;SMR000063982;MLS002633558;CHEMBL1425581;BDBM66249;cid_2078704;REGID_for_CID_2078704;HMS2352H12;ZINC2616894;AKOS033484122;MCULE-1121160340;[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate;Z16298229;[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate;2-(1,4-diketo-3H-phthalazin-2-yl)acetic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester;2-(1,4-dioxo-3H-phthalazin-2-yl)acetic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester;2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl 2-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-2-yl)acetate;756857-58-6
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CAS No:
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate Basic Attributes
393.4 g/mol
393.13247072 g/mol
Computed Properties
Molecular Weight:393.4
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:393.13247072
Monoisotopic Mass:393.13247072
Topological Polar Surface Area:96
Heavy Atom Count:29
Complexity:681
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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