ethyl 4-[[6-(4-carbamimidoylphenyl)-2-ethoxy-1H-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylate hydrochloride

Systemtic Name: ethyl 4-[[6-(4-carbamimidoylphenyl)-2-ethoxy-1H-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylate hydrochloride Openeye Name: ethyl 4-[[6-(4-carbamimidoylphenyl)-2-ethoxy-1H-pyridazine-4-carbonyl]amino]cyclohexanecarboxylate hydrochloride CAS Name: 4-[[[6-(4-carbamimidoylphenyl)-2-ethoxy-1H-pyridazin-4-yl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[[6-(4-carbamimidoylphenyl)-2-ethoxy-1H-pyridazine-4-carbonyl]amino]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-[[6-(4-amidinophenyl)-2-ethoxy-1H-pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid ethyl ester hydrochloride Formula: C23H32ClN5O4 MolecularWeight: 477.98428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)NC(=O)C2=CN(NC(=C2)C3=CC=C(C=C3)C(=N)N)OCC.Cl

Isomeric SMILES

CCOC(=O)C1CCC(CC1)NC(=O)C2=CN(NC(=C2)C3=CC=C(C=C3)C(=N)N)OCC.Cl

InChI

InChI=1S/C23H31N5O4.ClH/c1-3-31-23(30)17-9-11-19(12-10-17)26-22(29)18-13-20(27-28(14-18)32-4-2)15-5-7-16(8-6-15)21(24)25;/h5-8,13-14,17,19,27H,3-4,9-12H2,1-2H3,(H3,24,25)(H,26,29);1H