2-methyl-4-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-isoquinolin-1-one

Systemtic Name: 2-methyl-4-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-isoquinolin-1-one Openeye Name: 2-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isoquinolin-1-one CAS Name: 2-methyl-4-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-1-isoquinolinone IUPAC Name: 2-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isoquinolin-1-one Traditional Name: 2-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]isocarbostyril Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O4/c1-22-14-19(17-4-2-3-5-18(17)20(22)26)21(27)24-12-10-23(11-13-24)15-6-8-16(9-7-15)25(28)29/h2-9,14H,10-13H2,1H3