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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C(=N)N)C(=O)N(C)C3CCC(CC3)C(=O)OC.Cl

Isomeric SMILES

CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C(=N)N)C(=O)N(C)C3CCC(CC3)C(=O)OC.Cl

InChI

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