methyl 3-[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 3-[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 3-[4-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)piperazine-1-carbonyl]benzoate CAS Name: 3-[[4-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazine-1-carbonyl]benzoate Traditional Name: 3-[4-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)piperazine-1-carbonyl]benzoic acid methyl ester Formula: C23H21ClN4O4 MolecularWeight: 452.89024

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

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