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

Systemtic Name: methyl 2-[5-chloranyl-4-[(4-methylcyclohexyl)amino]-6-oxidanylidene-pyridazin-1-yl]benzoate Openeye Name: methyl 2-[5-chloro-4-[(4-methylcyclohexyl)amino]-6-oxo-pyridazin-1-yl]benzoate CAS Name: 2-[5-chloro-4-[(4-methylcyclohexyl)amino]-6-oxo-1-pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-chloro-4-[(4-methylcyclohexyl)amino]-6-oxopyridazin-1-yl]benzoate Traditional Name: 2-[5-chloro-6-keto-4-[(4-methylcyclohexyl)amino]pyridazin-1-yl]benzoic acid methyl ester Formula: C19H22ClN3O3 MolecularWeight: 375.84928

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC2=C(C(=O)N(N=C2)C3=CC=CC=C3C(=O)OC)Cl

Isomeric SMILES

CC1CCC(CC1)NC2=C(C(=O)N(N=C2)C3=CC=CC=C3C(=O)OC)Cl

InChI

InChI=1S/C19H22ClN3O3/c1-12-7-9-13(10-8-12)22-15-11-21-23(18(24)17(15)20)16-6-4-3-5-14(16)19(25)26-2/h3-6,11-13,22H,7-10H2,1-2H3