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

Systemtic Name: N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[4-(2-ketopyrrolidino)benzyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H23N3O2/c25-20-6-3-12-24(20)19-9-7-16(8-10-19)14-22-21(26)23-13-11-17-4-1-2-5-18(17)15-23/h1-2,4-5,7-10H,3,6,11-15H2,(H,22,26)