4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[[3-(2-oxo-1-pyrrolidinyl)phenyl]methyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[3-(2-ketopyrrolidino)benzyl]benzamide Formula: C28H29N3O2 MolecularWeight: 439.54876

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=CC(=C2)CNC(=O)C3=CC=C(C=C3)CN4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=CC(=C2)CNC(=O)C3=CC=C(C=C3)CN4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H29N3O2/c32-27-9-4-15-31(27)26-8-3-5-22(17-26)18-29-28(33)24-12-10-21(11-13-24)19-30-16-14-23-6-1-2-7-25(23)20-30/h1-3,5-8,10-13,17H,4,9,14-16,18-20H2,(H,29,33)