2-(4-methylphenyl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-(4-methylphenyl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]isoindole-1,3-dione Openeye Name: 5-(4-benzylpiperazin-1-yl)-6-nitro-2-(p-tolyl)isoindoline-1,3-dione CAS Name: 2-(4-methylphenyl)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 5-(4-benzylpiperazin-1-yl)-2-(4-methylphenyl)-6-nitroisoindole-1,3-dione Traditional Name: 5-(4-benzylpiperazino)-6-nitro-2-(p-tolyl)isoindoline-1,3-quinone Formula: C26H24N4O4 MolecularWeight: 456.49316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC(=C(C=C3C2=O)[N+](=O)[O-])N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC(=C(C=C3C2=O)[N+](=O)[O-])N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H24N4O4/c1-18-7-9-20(10-8-18)29-25(31)21-15-23(24(30(33)34)16-22(21)26(29)32)28-13-11-27(12-14-28)17-19-5-3-2-4-6-19/h2-10,15-16H,11-14,17H2,1H3