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

Systemtic Name: methyl 4-[[2-(2-azanyl-2-oxidanylidene-ethyl)-6-(4-carbamimidoylphenyl)-3-oxidanylidene-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[2-(2-amino-2-oxo-ethyl)-6-(4-carbamimidoylphenyl)-3-oxo-pyridazine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[2-(2-amino-2-oxoethyl)-6-(4-carbamimidoylphenyl)-3-oxo-4-pyridazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[2-(2-amino-2-oxoethyl)-6-(4-carbamimidoylphenyl)-3-oxopyridazine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[6-(4-amidinophenyl)-2-(2-amino-2-keto-ethyl)-3-keto-pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C22H26N6O5 MolecularWeight: 454.47904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)NC(=O)C2=CC(=NN(C2=O)CC(=O)N)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)C1CCC(CC1)NC(=O)C2=CC(=NN(C2=O)CC(=O)N)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H26N6O5/c1-33-22(32)14-6-8-15(9-7-14)26-20(30)16-10-17(27-28(21(16)31)11-18(23)29)12-2-4-13(5-3-12)19(24)25/h2-5,10,14-15H,6-9,11H2,1H3,(H2,23,29)(H3,24,25)(H,26,30)