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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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