2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(o-tolyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-(2-methylphenyl)-N-[4-(4-methyl-1-piperazinyl)phenyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: 1,3-diketo-N-[4-(4-methylpiperazino)phenyl]-2-(o-tolyl)isoindoline-5-carboxamide Formula: C27H26N4O3 MolecularWeight: 454.52034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)N5CCN(CC5)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)N5CCN(CC5)C

InChI

InChI=1S/C27H26N4O3/c1-18-5-3-4-6-24(18)31-26(33)22-12-7-19(17-23(22)27(31)34)25(32)28-20-8-10-21(11-9-20)30-15-13-29(2)14-16-30/h3-12,17H,13-16H2,1-2H3,(H,28,32)