methyl 4-[[3-(4-carbamimidoylphenyl)-6-oxidanylidene-1H-pyridazin-5-yl]carbonylamino]cyclohexane-1-carboxylate hydrochloride

Systemtic Name: methyl 4-[[3-(4-carbamimidoylphenyl)-6-oxidanylidene-1H-pyridazin-5-yl]carbonylamino]cyclohexane-1-carboxylate hydrochloride Openeye Name: methyl 4-[[3-(4-carbamimidoylphenyl)-6-oxo-1H-pyridazine-5-carbonyl]amino]cyclohexanecarboxylate hydrochloride CAS Name: 4-[[[3-(4-carbamimidoylphenyl)-6-oxo-1H-pyridazin-5-yl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 4-[[3-(4-carbamimidoylphenyl)-6-oxo-1H-pyridazine-5-carbonyl]amino]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-[[3-(4-amidinophenyl)-6-keto-1H-pyridazine-5-carbonyl]amino]cyclohexanecarboxylic acid methyl ester hydrochloride Formula: C20H24ClN5O4 MolecularWeight: 433.88866

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)NC(=O)C2=CC(=NNC2=O)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

COC(=O)C1CCC(CC1)NC(=O)C2=CC(=NNC2=O)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C20H23N5O4.ClH/c1-29-20(28)13-6-8-14(9-7-13)23-18(26)15-10-16(24-25-19(15)27)11-2-4-12(5-3-11)17(21)22;/h2-5,10,13-14H,6-9H2,1H3,(H3,21,22)(H,23,26)(H,25,27);1H