methyl 4-[[6-(4-cyanophenyl)pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[6-(4-cyanophenyl)pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[6-(4-cyanophenyl)pyridazine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[6-(4-cyanophenyl)-4-pyridazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[6-(4-cyanophenyl)pyridazine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[6-(4-cyanophenyl)pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)NC(=O)C2=CC(=NN=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)C1CCC(CC1)NC(=O)C2=CC(=NN=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H20N4O3/c1-27-20(26)15-6-8-17(9-7-15)23-19(25)16-10-18(24-22-12-16)14-4-2-13(11-21)3-5-14/h2-5,10,12,15,17H,6-9H2,1H3,(H,23,25)