2-[[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylphenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylphenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzyl]isoindoline-1,3-quinone Formula: C28H27N3O3 MolecularWeight: 453.53228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O)C

InChI

InChI=1S/C28H27N3O3/c1-19-7-5-12-25(20(19)2)29-13-15-30(16-14-29)26(32)22-9-6-8-21(17-22)18-31-27(33)23-10-3-4-11-24(23)28(31)34/h3-12,17H,13-16,18H2,1-2H3