3-[5-methyl-4-[4-(2-nitrophenyl)piperazin-1-yl]carbonyl-pyrazol-1-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[5-methyl-4-[4-(2-nitrophenyl)piperazin-1-yl]carbonyl-pyrazol-1-yl]-1H-pyridazin-6-one Openeye Name: 3-[5-methyl-4-[4-(2-nitrophenyl)piperazine-1-carbonyl]pyrazol-1-yl]-1H-pyridazin-6-one CAS Name: 3-[5-methyl-4-[[4-(2-nitrophenyl)-1-piperazinyl]-oxomethyl]-1-pyrazolyl]-1H-pyridazin-6-one IUPAC Name: 3-[5-methyl-4-[4-(2-nitrophenyl)piperazine-1-carbonyl]pyrazol-1-yl]-1H-pyridazin-6-one Traditional Name: 3-[5-methyl-4-[4-(2-nitrophenyl)piperazine-1-carbonyl]pyrazol-1-yl]-1H-pyridazin-6-one Formula: C19H19N7O4 MolecularWeight: 409.39866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N7O4/c1-13-14(12-20-25(13)17-6-7-18(27)22-21-17)19(28)24-10-8-23(9-11-24)15-4-2-3-5-16(15)26(29)30/h2-7,12H,8-11H2,1H3,(H,22,27)