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

Systemtic Name: 2-[(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-3H-isoindol-1-one Openeye Name: 2-[(1S)-1-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]isoindolin-1-one CAS Name: 2-[(2S)-1-[4-(4-methoxyphenyl)-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]-3H-isoindol-1-one IUPAC Name: 2-[(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-3H-isoindol-1-one Traditional Name: 2-[(1S)-1-benzyl-2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]isoindolin-1-one Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C(CC3=CC=CC=C3)N4CC5=CC=CC=C5C4=O

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)[C@H](CC3=CC=CC=C3)N4CC5=CC=CC=C5C4=O

InChI

InChI=1S/C28H29N3O3/c1-34-24-13-11-23(12-14-24)29-15-17-30(18-16-29)28(33)26(19-21-7-3-2-4-8-21)31-20-22-9-5-6-10-25(22)27(31)32/h2-14,26H,15-20H2,1H3/t26-/m0/s1