6-(4-methoxyphenyl)-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]pyridazin-3-one

Systemtic Name: 6-(4-methoxyphenyl)-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]pyridazin-3-one Openeye Name: 6-(4-methoxyphenyl)-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]pyridazin-3-one CAS Name: 6-(4-methoxyphenyl)-2-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-3-pyridazinone IUPAC Name: 6-(4-methoxyphenyl)-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]pyridazin-3-one Traditional Name: 6-(4-methoxyphenyl)-2-[[4-(4-nitrophenyl)piperazino]methyl]pyridazin-3-one Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4/c1-31-20-8-2-17(3-9-20)21-10-11-22(28)26(23-21)16-24-12-14-25(15-13-24)18-4-6-19(7-5-18)27(29)30/h2-11H,12-16H2,1H3