4-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(6-nitropyridin-3-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]-2H-phthalazin-1-one Formula: C18H16N6O4 MolecularWeight: 380.35744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C18H16N6O4/c25-17-14-4-2-1-3-13(14)16(20-21-17)18(26)23-9-7-22(8-10-23)12-5-6-15(19-11-12)24(27)28/h1-6,11H,7-10H2,(H,21,25)