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

Systemtic Name: 2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-1-phenyl-ethyl]-3H-isoindol-1-one Openeye Name: 2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-1-phenyl-ethyl]isoindolin-1-one CAS Name: 2-[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxo-1-phenylethyl]-3H-isoindol-1-one IUPAC Name: 2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-3H-isoindol-1-one Traditional Name: 2-[2-keto-2-[4-(4-nitrophenyl)piperazino]-1-phenyl-ethyl]isoindolin-1-one Formula: C26H24N4O4 MolecularWeight: 456.49316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(C3=CC=CC=C3)N4CC5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(C3=CC=CC=C3)N4CC5=CC=CC=C5C4=O

InChI

InChI=1S/C26H24N4O4/c31-25-23-9-5-4-8-20(23)18-29(25)24(19-6-2-1-3-7-19)26(32)28-16-14-27(15-17-28)21-10-12-22(13-11-21)30(33)34/h1-13,24H,14-18H2