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

Systemtic Name: 4-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonyl-2-phenyl-phthalazin-1-one Openeye Name: 4-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]-2-phenyl-phthalazin-1-one CAS Name: 4-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-oxomethyl]-2-phenyl-1-phthalazinone IUPAC Name: 4-[4-(6-nitropyridin-3-yl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one Traditional Name: 4-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]-2-phenyl-phthalazin-1-one Formula: C24H20N6O4 MolecularWeight: 456.4534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C24H20N6O4/c31-23-20-9-5-4-8-19(20)22(26-29(23)17-6-2-1-3-7-17)24(32)28-14-12-27(13-15-28)18-10-11-21(25-16-18)30(33)34/h1-11,16H,12-15H2