2-(3-pyrrol-1-ylphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(3-pyrrol-1-ylphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(3-pyrrol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[oxo-[3-(1-pyrrolyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(3-pyrrol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(3-pyrrol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H19N3O2 MolecularWeight: 345.39446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)N4C=CC=C4)C(=O)N

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)N4C=CC=C4)C(=O)N

InChI

InChI=1S/C21H19N3O2/c22-20(25)19-13-15-6-1-2-7-17(15)14-24(19)21(26)16-8-5-9-18(12-16)23-10-3-4-11-23/h1-12,19H,13-14H2,(H2,22,25)