3-(1H-indol-3-yl)-2-methyl-1-oxidanylidene-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 3-(1H-indol-3-yl)-2-methyl-1-oxidanylidene-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(1H-indol-3-yl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 3-(1H-indol-3-yl)-2-methyl-1-oxo-N-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(1H-indol-3-yl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-[2-(4-benzylpiperazino)ethyl]-3-(1H-indol-3-yl)-1-keto-2-methyl-3,4-dihydroisoquinoline-4-carboxamide Formula: C32H35N5O2 MolecularWeight: 521.6526

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCN3CCN(CC3)CC4=CC=CC=C4)C5=CNC6=CC=CC=C65

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCN3CCN(CC3)CC4=CC=CC=C4)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C32H35N5O2/c1-35-30(27-21-34-28-14-8-7-11-24(27)28)29(25-12-5-6-13-26(25)32(35)39)31(38)33-15-16-36-17-19-37(20-18-36)22-23-9-3-2-4-10-23/h2-14,21,29-30,34H,15-20,22H2,1H3,(H,33,38)