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

Systemtic Name: 2-[(2S)-1-oxidanylidene-3-phenyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]-3H-isoindol-1-one Openeye Name: 2-[(1S)-1-benzyl-2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]isoindolin-1-one CAS Name: 2-[(2S)-1-oxo-3-phenyl-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]-3H-isoindol-1-one IUPAC Name: 2-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3H-isoindol-1-one Traditional Name: 2-[(1S)-1-benzyl-2-(4-benzylpiperazino)-2-keto-ethyl]isoindolin-1-one Formula: C28H29N3O2 MolecularWeight: 439.54876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)N4CC5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)[C@H](CC3=CC=CC=C3)N4CC5=CC=CC=C5C4=O

InChI

InChI=1S/C28H29N3O2/c32-27-25-14-8-7-13-24(25)21-31(27)26(19-22-9-3-1-4-10-22)28(33)30-17-15-29(16-18-30)20-23-11-5-2-6-12-23/h1-14,26H,15-21H2/t26-/m0/s1