2-[1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-3H-isoindol-1-one

Systemtic Name: 2-[1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-3H-isoindol-1-one Openeye Name: 2-[1-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]isoindolin-1-one CAS Name: 2-[1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]-3H-isoindol-1-one IUPAC Name: 2-[1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-3H-isoindol-1-one Traditional Name: 2-[1-benzyl-2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-ethyl]isoindolin-1-one Formula: C29H31N3O2 MolecularWeight: 453.57534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C(CC3=CC=CC=C3)N4CC5=CC=CC=C5C4=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C(CC3=CC=CC=C3)N4CC5=CC=CC=C5C4=O)C

InChI

InChI=1S/C29H31N3O2/c1-21-9-8-14-26(22(21)2)30-15-17-31(18-16-30)29(34)27(19-23-10-4-3-5-11-23)32-20-24-12-6-7-13-25(24)28(32)33/h3-14,27H,15-20H2,1-2H3