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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)NC(=O)C2=CC(=NN(C2=O)CC(=O)N3CCOCC3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CCOC(=O)C1CCC(CC1)NC(=O)C2=CC(=NN(C2=O)CC(=O)N3CCOCC3)C4=CC=C(C=C4)C(=N)N

InChI

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