1-(4-chlorophenyl)-6-methyl-3-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-pyridazin-4-one

Systemtic Name: 1-(4-chlorophenyl)-6-methyl-3-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-pyridazin-4-one Openeye Name: 1-(4-chlorophenyl)-6-methyl-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyridazin-4-one CAS Name: 1-(4-chlorophenyl)-6-methyl-3-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-4-pyridazinone IUPAC Name: 1-(4-chlorophenyl)-6-methyl-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyridazin-4-one Traditional Name: 1-(4-chlorophenyl)-6-methyl-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyridazin-4-one Formula: C22H20ClN5O4 MolecularWeight: 453.8783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN5O4/c1-15-14-20(29)21(24-27(15)18-4-2-16(23)3-5-18)22(30)26-12-10-25(11-13-26)17-6-8-19(9-7-17)28(31)32/h2-9,14H,10-13H2,1H3