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

Systemtic Name: methyl 4-[[6-(4-carbamimidoylphenyl)pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylate hydrochloride Openeye Name: methyl 4-[[6-(4-carbamimidoylphenyl)pyridazine-4-carbonyl]amino]cyclohexanecarboxylate hydrochloride CAS Name: 4-[[[6-(4-carbamimidoylphenyl)-4-pyridazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 4-[[6-(4-carbamimidoylphenyl)pyridazine-4-carbonyl]amino]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-[[6-(4-amidinophenyl)pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid methyl ester hydrochloride Formula: C20H24ClN5O3 MolecularWeight: 417.88926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O3.ClH/c1-28-20(27)14-6-8-16(9-7-14)24-19(26)15-10-17(25-23-11-15)12-2-4-13(5-3-12)18(21)22;/h2-5,10-11,14,16H,6-9H2,1H3,(H3,21,22)(H,24,26);1H