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

Systemtic Name: 2-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[4-(m-tolylmethyl)piperazin-1-yl]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[4-[(3-methylphenyl)methyl]-1-piperazinyl]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[4-(3-methylbenzyl)piperazino]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4/c1-15-3-2-4-16(11-15)13-22-7-9-23(10-8-22)14-24-20(26)18-6-5-17(25(28)29)12-19(18)21(24)27/h2-6,11-12H,7-10,13-14H2,1H3