methyl 4-[[6-(4-cyanophenyl)-3-oxidanylidene-2-(phenylmethyl)pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[6-(4-cyanophenyl)-3-oxidanylidene-2-(phenylmethyl)pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[2-benzyl-6-(4-cyanophenyl)-3-oxo-pyridazine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[6-(4-cyanophenyl)-3-oxo-2-(phenylmethyl)-4-pyridazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[2-benzyl-6-(4-cyanophenyl)-3-oxopyridazine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[2-benzyl-6-(4-cyanophenyl)-3-keto-pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)NC(=O)C2=CC(=NN(C2=O)CC3=CC=CC=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC(=O)C1CCC(CC1)NC(=O)C2=CC(=NN(C2=O)CC3=CC=CC=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H26N4O4/c1-35-27(34)21-11-13-22(14-12-21)29-25(32)23-15-24(20-9-7-18(16-28)8-10-20)30-31(26(23)33)17-19-5-3-2-4-6-19/h2-10,15,21-22H,11-14,17H2,1H3,(H,29,32)