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

Systemtic Name: methyl 2-[5-chloranyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxidanylidene-pyridazin-1-yl]benzoate Openeye Name: methyl 2-[5-chloro-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-pyridazin-1-yl]benzoate CAS Name: 2-[5-chloro-4-[4-(4-fluorophenyl)-1-piperazinyl]-6-oxo-1-pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-chloro-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]benzoate Traditional Name: 2-[5-chloro-4-[4-(4-fluorophenyl)piperazino]-6-keto-pyridazin-1-yl]benzoic acid methyl ester Formula: C22H20ClFN4O3 MolecularWeight: 442.870603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClFN4O3/c1-31-22(30)17-4-2-3-5-18(17)28-21(29)20(23)19(14-25-28)27-12-10-26(11-13-27)16-8-6-15(24)7-9-16/h2-9,14H,10-13H2,1H3