2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoquinolin-1-one

Systemtic Name: 2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoquinolin-1-one Openeye Name: 2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]isoquinolin-1-one CAS Name: 2-[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]-1-isoquinolinone IUPAC Name: 2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]isoquinolin-1-one Traditional Name: 2-[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]isocarbostyril Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CN3C=CC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CN3C=CC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H20N4O4/c26-20(15-24-10-9-16-3-1-2-4-19(16)21(24)27)23-13-11-22(12-14-23)17-5-7-18(8-6-17)25(28)29/h1-10H,11-15H2