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

Systemtic Name: 5-[4-(4-methylphenyl)carbonylpiperazin-1-yl]carbonyl-2-phenethyl-isoindole-1,3-dione Openeye Name: 5-[4-(4-methylbenzoyl)piperazine-1-carbonyl]-2-phenethyl-isoindoline-1,3-dione CAS Name: 5-[[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-2-phenethylisoindole-1,3-dione IUPAC Name: 5-[4-(4-methylbenzoyl)piperazine-1-carbonyl]-2-phenethylisoindole-1,3-dione Traditional Name: 2-phenethyl-5-(4-p-toluoylpiperazine-1-carbonyl)isoindoline-1,3-quinone Formula: C29H27N3O4 MolecularWeight: 481.54238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCC5=CC=CC=C5

InChI

InChI=1S/C29H27N3O4/c1-20-7-9-22(10-8-20)26(33)30-15-17-31(18-16-30)27(34)23-11-12-24-25(19-23)29(36)32(28(24)35)14-13-21-5-3-2-4-6-21/h2-12,19H,13-18H2,1H3