methyl 2-[5-chloranyl-4-[(1-morpholin-4-ylcyclohexyl)methylamino]-6-oxidanylidene-pyridazin-1-yl]benzoate

Systemtic Name: methyl 2-[5-chloranyl-4-[(1-morpholin-4-ylcyclohexyl)methylamino]-6-oxidanylidene-pyridazin-1-yl]benzoate Openeye Name: methyl 2-[5-chloro-4-[(1-morpholinocyclohexyl)methylamino]-6-oxo-pyridazin-1-yl]benzoate CAS Name: 2-[5-chloro-4-[[1-(4-morpholinyl)cyclohexyl]methylamino]-6-oxo-1-pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-chloro-4-[(1-morpholin-4-ylcyclohexyl)methylamino]-6-oxopyridazin-1-yl]benzoate Traditional Name: 2-[5-chloro-6-keto-4-[(1-morpholinocyclohexyl)methylamino]pyridazin-1-yl]benzoic acid methyl ester Formula: C23H29ClN4O4 MolecularWeight: 460.95376

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N2C(=O)C(=C(C=N2)NCC3(CCCCC3)N4CCOCC4)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1N2C(=O)C(=C(C=N2)NCC3(CCCCC3)N4CCOCC4)Cl

InChI

InChI=1S/C23H29ClN4O4/c1-31-22(30)17-7-3-4-8-19(17)28-21(29)20(24)18(15-26-28)25-16-23(9-5-2-6-10-23)27-11-13-32-14-12-27/h3-4,7-8,15,25H,2,5-6,9-14,16H2,1H3