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

Systemtic Name: 4-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-(6-nitropyridin-3-yl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C25H22N6O4 MolecularWeight: 470.47998

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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)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C25H22N6O4/c32-24-21-9-5-4-8-20(21)23(27-30(24)17-18-6-2-1-3-7-18)25(33)29-14-12-28(13-15-29)19-10-11-22(26-16-19)31(34)35/h1-11,16H,12-15,17H2