2-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-4-[4-(phenylmethyl)piperazin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-4-[4-(phenylmethyl)piperazin-1-yl]isoindole-1,3-dione Openeye Name: 4-(4-benzylpiperazin-1-yl)-2-(5,6-dimethoxyindan-2-yl)isoindoline-1,3-dione CAS Name: 2-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-4-[4-(phenylmethyl)-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 4-(4-benzylpiperazin-1-yl)-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione Traditional Name: 4-(4-benzylpiperazino)-2-(5,6-dimethoxyindan-2-yl)isoindoline-1,3-quinone Formula: C30H31N3O4 MolecularWeight: 497.58484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CC(CC2=C1)N3C(=O)C4=C(C3=O)C(=CC=C4)N5CCN(CC5)CC6=CC=CC=C6)OC

Isomeric SMILES

COC1=C(C=C2CC(CC2=C1)N3C(=O)C4=C(C3=O)C(=CC=C4)N5CCN(CC5)CC6=CC=CC=C6)OC

InChI

InChI=1S/C30H31N3O4/c1-36-26-17-21-15-23(16-22(21)18-27(26)37-2)33-29(34)24-9-6-10-25(28(24)30(33)35)32-13-11-31(12-14-32)19-20-7-4-3-5-8-20/h3-10,17-18,23H,11-16,19H2,1-2H3