2-[4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[[4-chloro-3-(2-oxo-1-pyrrolidinyl)phenyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[4-chloro-3-(2-ketopyrrolidino)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=C(C=CC(=C2)C(=O)N3CC4=CC=CC=C4CC3C(=O)N)Cl

Isomeric SMILES

C1CC(=O)N(C1)C2=C(C=CC(=C2)C(=O)N3CC4=CC=CC=C4CC3C(=O)N)Cl

InChI

InChI=1S/C21H20ClN3O3/c22-16-8-7-14(11-17(16)24-9-3-6-19(24)26)21(28)25-12-15-5-2-1-4-13(15)10-18(25)20(23)27/h1-2,4-5,7-8,11,18H,3,6,9-10,12H2,(H2,23,27)