5-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]carbonyl-2-(phenylmethyl)isoindole-1,3-dione

Systemtic Name: 5-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]carbonyl-2-(phenylmethyl)isoindole-1,3-dione Openeye Name: 2-benzyl-5-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 5-[[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)isoindole-1,3-dione IUPAC Name: 2-benzyl-5-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-benzyl-5-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C29H27N3O4 MolecularWeight: 481.54238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

InChI

InChI=1S/C29H27N3O4/c1-2-20-8-10-22(11-9-20)26(33)30-14-16-31(17-15-30)27(34)23-12-13-24-25(18-23)29(36)32(28(24)35)19-21-6-4-3-5-7-21/h3-13,18H,2,14-17,19H2,1H3