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

Systemtic Name: 4-[[6-(4-cyanophenyl)-3-oxidanylidene-2-(phenylmethyl)pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-benzyl-6-(4-cyanophenyl)-3-oxo-pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[6-(4-cyanophenyl)-3-oxo-2-(phenylmethyl)-4-pyridazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-benzyl-6-(4-cyanophenyl)-3-oxopyridazine-4-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[2-benzyl-6-(4-cyanophenyl)-3-keto-pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid Formula: C26H24N4O4 MolecularWeight: 456.49316

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)NC(=O)C2=CC(=NN(C2=O)CC3=CC=CC=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC(CCC1C(=O)O)NC(=O)C2=CC(=NN(C2=O)CC3=CC=CC=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H24N4O4/c27-15-17-6-8-19(9-7-17)23-14-22(24(31)28-21-12-10-20(11-13-21)26(33)34)25(32)30(29-23)16-18-4-2-1-3-5-18/h1-9,14,20-21H,10-13,16H2,(H,28,31)(H,33,34)