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

Systemtic Name: 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-2-phenethyl-isoindole-1,3-dione Openeye Name: 5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-phenethyl-isoindoline-1,3-dione CAS Name: 5-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-2-phenethylisoindole-1,3-dione IUPAC Name: 5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-phenethylisoindole-1,3-dione Traditional Name: 5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-phenethyl-isoindoline-1,3-quinone Formula: C29H29N3O3 MolecularWeight: 467.55886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29N3O3/c1-20-7-6-10-26(21(20)2)30-15-17-31(18-16-30)27(33)23-11-12-24-25(19-23)29(35)32(28(24)34)14-13-22-8-4-3-5-9-22/h3-12,19H,13-18H2,1-2H3