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

Systemtic Name: 2-[1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-3H-isoindol-1-one Openeye Name: 2-[1-methyl-2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]isoindolin-1-one CAS Name: 2-[1-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxopropan-2-yl]-3H-isoindol-1-one IUPAC Name: 2-[1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3H-isoindol-1-one Traditional Name: 2-[2-keto-1-methyl-2-[4-(4-nitrophenyl)piperazino]ethyl]isoindolin-1-one Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H22N4O4/c1-15(24-14-16-4-2-3-5-19(16)21(24)27)20(26)23-12-10-22(11-13-23)17-6-8-18(9-7-17)25(28)29/h2-9,15H,10-14H2,1H3