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

Systemtic Name: methyl 2-[5-chloranyl-6-oxidanylidene-4-[4-(phenylcarbonyl)piperazin-1-yl]pyridazin-1-yl]benzoate Openeye Name: methyl 2-[4-(4-benzoylpiperazin-1-yl)-5-chloro-6-oxo-pyridazin-1-yl]benzoate CAS Name: 2-[4-(4-benzoyl-1-piperazinyl)-5-chloro-6-oxo-1-pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(4-benzoylpiperazin-1-yl)-5-chloro-6-oxopyridazin-1-yl]benzoate Traditional Name: 2-[4-(4-benzoylpiperazino)-5-chloro-6-keto-pyridazin-1-yl]benzoic acid methyl ester Formula: C23H21ClN4O4 MolecularWeight: 452.89024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN4O4/c1-32-23(31)17-9-5-6-10-18(17)28-22(30)20(24)19(15-25-28)26-11-13-27(14-12-26)21(29)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3