2-[1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-3H-isoindol-1-one

Systemtic Name: 2-[1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-3H-isoindol-1-one Openeye Name: 2-[1-benzyl-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]isoindolin-1-one CAS Name: 2-[1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]-3H-isoindol-1-one IUPAC Name: 2-[1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-3H-isoindol-1-one Traditional Name: 2-[1-benzyl-2-[4-(2,5-dimethylphenyl)piperazino]-2-keto-ethyl]isoindolin-1-one Formula: C29H31N3O2 MolecularWeight: 453.57534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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