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

Systemtic Name: methyl 4-[[6-(4-carbamimidoylphenyl)-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-3-oxidanylidene-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C26H32N6O6 MolecularWeight: 524.56888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N6O6/c1-37-26(36)18-6-8-19(9-7-18)29-24(34)20-14-21(16-2-4-17(5-3-16)23(27)28)30-32(25(20)35)15-22(33)31-10-12-38-13-11-31/h2-5,14,18-19H,6-13,15H2,1H3,(H3,27,28)(H,29,34)