methyl 4-[[6-(4-carbamimidoylphenyl)-3-methoxy-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[6-(4-carbamimidoylphenyl)-3-methoxy-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[6-(4-carbamimidoylphenyl)-3-methoxy-pyridazine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[6-(4-carbamimidoylphenyl)-3-methoxy-4-pyridazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[6-(4-carbamimidoylphenyl)-3-methoxypyridazine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[6-(4-amidinophenyl)-3-methoxy-pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1C(=O)NC2CCC(CC2)C(=O)OC)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC1=NN=C(C=C1C(=O)NC2CCC(CC2)C(=O)OC)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H25N5O4/c1-29-20-16(19(27)24-15-9-7-14(8-10-15)21(28)30-2)11-17(25-26-20)12-3-5-13(6-4-12)18(22)23/h3-6,11,14-15H,7-10H2,1-2H3,(H3,22,23)(H,24,27)