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

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxamide Openeye Name: 2-benzyl-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]-1,3-dioxo-2-(phenylmethyl)-5-isoindolecarboxamide IUPAC Name: 2-benzyl-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-benzyl-N-[4-(4-ethylpiperazino)-2-methyl-phenyl]-1,3-diketo-isoindoline-5-carboxamide Formula: C29H30N4O3 MolecularWeight: 482.5735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5)C

InChI

InChI=1S/C29H30N4O3/c1-3-31-13-15-32(16-14-31)23-10-12-26(20(2)17-23)30-27(34)22-9-11-24-25(18-22)29(36)33(28(24)35)19-21-7-5-4-6-8-21/h4-12,17-18H,3,13-16,19H2,1-2H3,(H,30,34)