methyl 4-[[6-(4-carbamimidoylphenyl)-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-3-oxidanylidene-pyridazin-4-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[6-(4-carbamimidoylphenyl)-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-3-oxidanylidene-pyridazin-4-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[6-(4-carbamimidoylphenyl)-2-(2-morpholino-2-oxo-ethyl)-3-oxo-pyridazine-4-carbonyl]-methyl-amino]cyclohexanecarboxylate CAS Name: 4-[[[6-(4-carbamimidoylphenyl)-2-[2-(4-morpholinyl)-2-oxoethyl]-3-oxo-4-pyridazinyl]-oxomethyl]-methylamino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[6-(4-carbamimidoylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)-3-oxopyridazine-4-carbonyl]-methylamino]cyclohexane-1-carboxylate Traditional Name: 4-[[6-(4-amidinophenyl)-3-keto-2-(2-keto-2-morpholino-ethyl)pyridazine-4-carbonyl]-methyl-amino]cyclohexanecarboxylic acid methyl ester Formula: C27H34N6O6 MolecularWeight: 538.59546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1)C(=O)OC)C(=O)C2=CC(=NN(C2=O)CC(=O)N3CCOCC3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN(C1CCC(CC1)C(=O)OC)C(=O)C2=CC(=NN(C2=O)CC(=O)N3CCOCC3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H34N6O6/c1-31(20-9-7-19(8-10-20)27(37)38-2)25(35)21-15-22(17-3-5-18(6-4-17)24(28)29)30-33(26(21)36)16-23(34)32-11-13-39-14-12-32/h3-6,15,19-20H,7-14,16H2,1-2H3,(H3,28,29)