6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]pyridazin-3-one

Systemtic Name: 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]pyridazin-3-one Openeye Name: 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]pyridazin-3-one CAS Name: 6-(3,5-dimethyl-1-pyrazolyl)-2-[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]-3-pyridazinone IUPAC Name: 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one Traditional Name: 6-(3,5-dimethylpyrazol-1-yl)-2-[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]pyridazin-3-one Formula: C21H23N7O4 MolecularWeight: 437.45182

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N7O4/c1-15-13-16(2)27(22-15)19-7-8-20(29)26(23-19)14-21(30)25-11-9-24(10-12-25)17-3-5-18(6-4-17)28(31)32/h3-8,13H,9-12,14H2,1-2H3