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

Systemtic Name: 5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)-6-nitro-isoindole-1,3-dione Openeye Name: 5-[3-methyl-4-(m-tolyl)piperazin-1-yl]-6-nitro-2-(p-tolyl)isoindoline-1,3-dione CAS Name: 5-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-2-(4-methylphenyl)-6-nitroisoindole-1,3-dione IUPAC Name: 5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)-6-nitroisoindole-1,3-dione Traditional Name: 5-[3-methyl-4-(m-tolyl)piperazino]-6-nitro-2-(p-tolyl)isoindoline-1,3-quinone Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C3=C(C=C4C(=C3)C(=O)N(C4=O)C5=CC=C(C=C5)C)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C3=C(C=C4C(=C3)C(=O)N(C4=O)C5=CC=C(C=C5)C)[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O4/c1-17-7-9-20(10-8-17)30-26(32)22-14-24(25(31(34)35)15-23(22)27(30)33)28-11-12-29(19(3)16-28)21-6-4-5-18(2)13-21/h4-10,13-15,19H,11-12,16H2,1-3H3