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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=N)N)C2=NN(C(=O)C(=C2)C(=O)NC3CCC(CC3)C(=O)OC)C.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(=N)N)C2=NN(C(=O)C(=C2)C(=O)NC3CCC(CC3)C(=O)OC)C.Cl

InChI

InChI=1S/C22H27N5O4.ClH/c1-12-10-14(19(23)24)6-9-16(12)18-11-17(21(29)27(2)26-18)20(28)25-15-7-4-13(5-8-15)22(30)31-3;/h6,9-11,13,15H,4-5,7-8H2,1-3H3,(H3,23,24)(H,25,28);1H