2-[1-(4-methylphenyl)-3-oxidanylidene-3-[(2R)-2-(phenylmethyl)piperazin-1-yl]propyl]-3H-isoindol-1-one

Systemtic Name: 2-[1-(4-methylphenyl)-3-oxidanylidene-3-[(2R)-2-(phenylmethyl)piperazin-1-yl]propyl]-3H-isoindol-1-one Openeye Name: 2-[3-[(2R)-2-benzylpiperazin-1-yl]-3-oxo-1-(p-tolyl)propyl]isoindolin-1-one CAS Name: 2-[1-(4-methylphenyl)-3-oxo-3-[(2R)-2-(phenylmethyl)-1-piperazinyl]propyl]-3H-isoindol-1-one IUPAC Name: 2-[3-[(2R)-2-benzylpiperazin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]-3H-isoindol-1-one Traditional Name: 2-[3-[(2R)-2-benzylpiperazino]-3-keto-1-(p-tolyl)propyl]isoindolin-1-one Formula: C29H31N3O2 MolecularWeight: 453.57534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)N2CCNCC2CC3=CC=CC=C3)N4CC5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)N2CCNC[C@H]2CC3=CC=CC=C3)N4CC5=CC=CC=C5C4=O

InChI

InChI=1S/C29H31N3O2/c1-21-11-13-23(14-12-21)27(32-20-24-9-5-6-10-26(24)29(32)34)18-28(33)31-16-15-30-19-25(31)17-22-7-3-2-4-8-22/h2-14,25,27,30H,15-20H2,1H3/t25-,27?/m1/s1