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

Systemtic Name: 2-[(2S)-1-oxidanylidene-3-phenyl-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3H-isoindol-1-one Openeye Name: 2-[(1S)-1-benzyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]isoindolin-1-one CAS Name: 2-[(2S)-1-oxo-3-phenyl-1-(4-phenyl-1-piperazinyl)propan-2-yl]-3H-isoindol-1-one IUPAC Name: 2-[(2S)-1-oxo-3-phenyl-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3H-isoindol-1-one Traditional Name: 2-[(1S)-1-benzyl-2-keto-2-(4-phenylpiperazino)ethyl]isoindolin-1-one Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)N4CC5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)[C@H](CC3=CC=CC=C3)N4CC5=CC=CC=C5C4=O

InChI

InChI=1S/C27H27N3O2/c31-26-24-14-8-7-11-22(24)20-30(26)25(19-21-9-3-1-4-10-21)27(32)29-17-15-28(16-18-29)23-12-5-2-6-13-23/h1-14,25H,15-20H2/t25-/m0/s1