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

Systemtic Name: methyl 4-[[6-(4-carbamimidoylphenyl)-2-ethyl-3-oxidanylidene-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylate hydrochloride Openeye Name: methyl 4-[[6-(4-carbamimidoylphenyl)-2-ethyl-3-oxo-pyridazine-4-carbonyl]amino]cyclohexanecarboxylate hydrochloride CAS Name: 4-[[[6-(4-carbamimidoylphenyl)-2-ethyl-3-oxo-4-pyridazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 4-[[6-(4-carbamimidoylphenyl)-2-ethyl-3-oxopyridazine-4-carbonyl]amino]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-[[6-(4-amidinophenyl)-2-ethyl-3-keto-pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid methyl ester hydrochloride Formula: C22H28ClN5O4 MolecularWeight: 461.94182

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C(=N)N)C(=O)NC3CCC(CC3)C(=O)OC.Cl

Isomeric SMILES

CCN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C(=N)N)C(=O)NC3CCC(CC3)C(=O)OC.Cl

InChI

InChI=1S/C22H27N5O4.ClH/c1-3-27-21(29)17(12-18(26-27)13-4-6-14(7-5-13)19(23)24)20(28)25-16-10-8-15(9-11-16)22(30)31-2;/h4-7,12,15-16H,3,8-11H2,1-2H3,(H3,23,24)(H,25,28);1H