2-methyl-3-(1-methylindol-2-yl)-1-oxidanylidene-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 2-methyl-3-(1-methylindol-2-yl)-1-oxidanylidene-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-2-methyl-3-(1-methylindol-2-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 2-methyl-3-(1-methyl-2-indolyl)-1-oxo-N-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-2-methyl-3-(1-methylindol-2-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-[3-(4-benzylpiperazino)propyl]-1-keto-2-methyl-3-(1-methylindol-2-yl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C34H39N5O2 MolecularWeight: 549.70576

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4)C5=CC6=CC=CC=C6N5C

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4)C5=CC6=CC=CC=C6N5C

InChI

InChI=1S/C34H39N5O2/c1-36-29-16-9-6-13-26(29)23-30(36)32-31(27-14-7-8-15-28(27)34(41)37(32)2)33(40)35-17-10-18-38-19-21-39(22-20-38)24-25-11-4-3-5-12-25/h3-9,11-16,23,31-32H,10,17-22,24H2,1-2H3,(H,35,40)