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

Systemtic Name: 2-[1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-3H-isoindol-1-one Openeye Name: 2-[1-benzyl-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]isoindolin-1-one CAS Name: 2-[1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]-3H-isoindol-1-one IUPAC Name: 2-[1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-3H-isoindol-1-one Traditional Name: 2-[1-benzyl-2-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-keto-ethyl]isoindolin-1-one Formula: C28H28ClN3O2 MolecularWeight: 473.99382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28ClN3O2/c1-20-11-12-23(29)18-25(20)30-13-15-31(16-14-30)28(34)26(17-21-7-3-2-4-8-21)32-19-22-9-5-6-10-24(22)27(32)33/h2-12,18,26H,13-17,19H2,1H3