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

Systemtic Name: methyl 4-[[6-(4-carbamimidoylphenyl)-3-(dimethylamino)pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[6-(4-carbamimidoylphenyl)-3-(dimethylamino)pyridazine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[6-(4-carbamimidoylphenyl)-3-(dimethylamino)-4-pyridazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[6-(4-carbamimidoylphenyl)-3-(dimethylamino)pyridazine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[6-(4-amidinophenyl)-3-(dimethylamino)pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NN=C(C=C1C(=O)NC2CCC(CC2)C(=O)OC)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN(C)C1=NN=C(C=C1C(=O)NC2CCC(CC2)C(=O)OC)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H28N6O3/c1-28(2)20-17(21(29)25-16-10-8-15(9-11-16)22(30)31-3)12-18(26-27-20)13-4-6-14(7-5-13)19(23)24/h4-7,12,15-16H,8-11H2,1-3H3,(H3,23,24)(H,25,29)