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

Systemtic Name: methyl 4-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-methyl-amino]cyclohexane-1-carboxylate hydrochloride Openeye Name: methyl 4-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-methyl-amino]cyclohexanecarboxylate hydrochloride CAS Name: 4-[[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-methylamino]-1-cyclohexanecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 4-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-methylamino]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-[[6-(4-amidinophenyl)pyridazin-3-yl]-methyl-amino]cyclohexanecarboxylic acid methyl ester hydrochloride Formula: C20H26ClN5O2 MolecularWeight: 403.90574

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1)C(=O)OC)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

CN(C1CCC(CC1)C(=O)OC)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C20H25N5O2.ClH/c1-25(16-9-7-15(8-10-16)20(26)27-2)18-12-11-17(23-24-18)13-3-5-14(6-4-13)19(21)22;/h3-6,11-12,15-16H,7-10H2,1-2H3,(H3,21,22);1H