2-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[(1S)-1-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[(2S)-1-[4-(2-methoxyphenyl)-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione Traditional Name: 2-[(1S)-1-benzyl-2-keto-2-[4-(2-methoxyphenyl)piperazino]ethyl]isoindoline-1,3-quinone Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)C(CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)[C@H](CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C28H27N3O4/c1-35-25-14-8-7-13-23(25)29-15-17-30(18-16-29)28(34)24(19-20-9-3-2-4-10-20)31-26(32)21-11-5-6-12-22(21)27(31)33/h2-14,24H,15-19H2,1H3/t24-/m0/s1