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

Systemtic Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(o-tolyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[2-methyl-4-(4-methyl-1-piperazinyl)phenyl]-2-(2-methylphenyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 1,3-diketo-N-[2-methyl-4-(4-methylpiperazino)phenyl]-2-(o-tolyl)isoindoline-5-carboxamide Formula: C28H28N4O3 MolecularWeight: 468.54692

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=C(C=C(C=C4)N5CCN(CC5)C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H28N4O3/c1-18-6-4-5-7-25(18)32-27(34)22-10-8-20(17-23(22)28(32)35)26(33)29-24-11-9-21(16-19(24)2)31-14-12-30(3)13-15-31/h4-11,16-17H,12-15H2,1-3H3,(H,29,33)