6-(5-methyl-3-phenyl-pyrazol-1-yl)-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]pyridazin-3-one

Systemtic Name: 6-(5-methyl-3-phenyl-pyrazol-1-yl)-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]pyridazin-3-one Openeye Name: 6-(5-methyl-3-phenyl-pyrazol-1-yl)-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]pyridazin-3-one CAS Name: 6-(5-methyl-3-phenyl-1-pyrazolyl)-2-[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]-3-pyridazinone IUPAC Name: 6-(5-methyl-3-phenylpyrazol-1-yl)-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one Traditional Name: 2-[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]-6-(5-methyl-3-phenyl-pyrazol-1-yl)pyridazin-3-one Formula: C26H25N7O4 MolecularWeight: 499.5212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN(C(=O)C=C2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NN1C2=NN(C(=O)C=C2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C26H25N7O4/c1-19-17-23(20-5-3-2-4-6-20)27-32(19)24-11-12-25(34)31(28-24)18-26(35)30-15-13-29(14-16-30)21-7-9-22(10-8-21)33(36)37/h2-12,17H,13-16,18H2,1H3