methyl 4-[[6-(4-carbamimidoylphenyl)-3-oxidanylidene-2-phenyl-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylate hydrochloride

Systemtic Name: methyl 4-[[6-(4-carbamimidoylphenyl)-3-oxidanylidene-2-phenyl-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylate hydrochloride Openeye Name: methyl 4-[[6-(4-carbamimidoylphenyl)-3-oxo-2-phenyl-pyridazine-4-carbonyl]amino]cyclohexanecarboxylate hydrochloride CAS Name: 4-[[[6-(4-carbamimidoylphenyl)-3-oxo-2-phenyl-4-pyridazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 4-[[6-(4-carbamimidoylphenyl)-3-oxo-2-phenylpyridazine-4-carbonyl]amino]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-[[6-(4-amidinophenyl)-3-keto-2-phenyl-pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid methyl ester hydrochloride Formula: C26H28ClN5O4 MolecularWeight: 509.98462

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)NC(=O)C2=CC(=NN(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)C(=N)N.Cl

Isomeric SMILES

COC(=O)C1CCC(CC1)NC(=O)C2=CC(=NN(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)C(=N)N.Cl

InChI

InChI=1S/C26H27N5O4.ClH/c1-35-26(34)18-11-13-19(14-12-18)29-24(32)21-15-22(16-7-9-17(10-8-16)23(27)28)30-31(25(21)33)20-5-3-2-4-6-20;/h2-10,15,18-19H,11-14H2,1H3,(H3,27,28)(H,29,32);1H