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

Systemtic Name: 2-(4-methylphenyl)-5-nitro-6-(4-piperidin-1-ylpiperidin-1-yl)isoindole-1,3-dione Openeye Name: 5-nitro-6-[4-(1-piperidyl)-1-piperidyl]-2-(p-tolyl)isoindoline-1,3-dione CAS Name: 2-(4-methylphenyl)-5-nitro-6-[4-(1-piperidinyl)-1-piperidinyl]isoindole-1,3-dione IUPAC Name: 2-(4-methylphenyl)-5-nitro-6-(4-piperidin-1-ylpiperidin-1-yl)isoindole-1,3-dione Traditional Name: 5-nitro-6-(4-piperidinopiperidino)-2-(p-tolyl)isoindoline-1,3-quinone Formula: C25H28N4O4 MolecularWeight: 448.51422

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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)N5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC(=C(C=C3C2=O)[N+](=O)[O-])N4CCC(CC4)N5CCCCC5

InChI

InChI=1S/C25H28N4O4/c1-17-5-7-19(8-6-17)28-24(30)20-15-22(23(29(32)33)16-21(20)25(28)31)27-13-9-18(10-14-27)26-11-3-2-4-12-26/h5-8,15-16,18H,2-4,9-14H2,1H3