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

Systemtic Name: 2-methyl-4-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-methyl-4-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 2-methyl-4-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-oxomethyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[4-(6-nitropyridin-3-yl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-methyl-4-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C19H18N6O4 MolecularWeight: 394.38402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O4/c1-22-18(26)15-5-3-2-4-14(15)17(21-22)19(27)24-10-8-23(9-11-24)13-6-7-16(20-12-13)25(28)29/h2-7,12H,8-11H2,1H3