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

Systemtic Name: 4-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonyl-2-propan-2-yl-phthalazin-1-one Openeye Name: 2-isopropyl-4-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-oxomethyl]-2-propan-2-yl-1-phthalazinone IUPAC Name: 4-[4-(6-nitropyridin-3-yl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one Traditional Name: 2-isopropyl-4-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O4/c1-14(2)26-20(28)17-6-4-3-5-16(17)19(23-26)21(29)25-11-9-24(10-12-25)15-7-8-18(22-13-15)27(30)31/h3-8,13-14H,9-12H2,1-2H3