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

Systemtic Name: 2-(4-methylphenyl)-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]isoindole-1,3-dione Openeye Name: 5-(4-benzyl-1-piperidyl)-6-nitro-2-(p-tolyl)isoindoline-1,3-dione CAS Name: 2-(4-methylphenyl)-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]isoindole-1,3-dione IUPAC Name: 5-(4-benzylpiperidin-1-yl)-2-(4-methylphenyl)-6-nitroisoindole-1,3-dione Traditional Name: 5-(4-benzylpiperidino)-6-nitro-2-(p-tolyl)isoindoline-1,3-quinone Formula: C27H25N3O4 MolecularWeight: 455.5051

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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-])N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC(=C(C=C3C2=O)[N+](=O)[O-])N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O4/c1-18-7-9-21(10-8-18)29-26(31)22-16-24(25(30(33)34)17-23(22)27(29)32)28-13-11-20(12-14-28)15-19-5-3-2-4-6-19/h2-10,16-17,20H,11-15H2,1H3