methyl 2-[5-chloranyl-4-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxidanylidene-pyridazin-1-yl]benzoate

Systemtic Name: methyl 2-[5-chloranyl-4-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxidanylidene-pyridazin-1-yl]benzoate Openeye Name: methyl 2-[5-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxo-pyridazin-1-yl]benzoate CAS Name: 2-[5-chloro-4-[4-(3-chlorophenyl)-1-piperazinyl]-6-oxo-1-pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]benzoate Traditional Name: 2-[5-chloro-4-[4-(3-chlorophenyl)piperazino]-6-keto-pyridazin-1-yl]benzoic acid methyl ester Formula: C22H20Cl2N4O3 MolecularWeight: 459.3252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N2C(=O)C(=C(C=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1N2C(=O)C(=C(C=N2)N3CCN(CC3)C4=CC(=CC=C4)Cl)Cl

InChI

InChI=1S/C22H20Cl2N4O3/c1-31-22(30)17-7-2-3-8-18(17)28-21(29)20(24)19(14-25-28)27-11-9-26(10-12-27)16-6-4-5-15(23)13-16/h2-8,13-14H,9-12H2,1H3