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

Systemtic Name: 2-[1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]-3H-isoindol-1-one Openeye Name: 2-[1-benzyl-2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]isoindolin-1-one CAS Name: 2-[1-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]-3H-isoindol-1-one IUPAC Name: 2-[1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-3H-isoindol-1-one Traditional Name: 2-[1-benzyl-2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]isoindolin-1-one Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(CC3=CC=CC=C3)N4CC5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(CC3=CC=CC=C3)N4CC5=CC=CC=C5C4=O

InChI

InChI=1S/C27H26N4O4/c32-26-24-9-5-4-8-21(24)19-30(26)25(18-20-6-2-1-3-7-20)27(33)29-16-14-28(15-17-29)22-10-12-23(13-11-22)31(34)35/h1-13,25H,14-19H2