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

Systemtic Name: methyl 4-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxidanylidene-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxo-pyridazine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxo-4-pyridazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[6-(4-carbamimidoylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[6-(4-amidinophenyl)-3-keto-2-methyl-pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C(=N)N)C(=O)NC3CCC(CC3)C(=O)OC

Isomeric SMILES

CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C(=N)N)C(=O)NC3CCC(CC3)C(=O)OC

InChI

InChI=1S/C21H25N5O4/c1-26-20(28)16(11-17(25-26)12-3-5-13(6-4-12)18(22)23)19(27)24-15-9-7-14(8-10-15)21(29)30-2/h3-6,11,14-15H,7-10H2,1-2H3,(H3,22,23)(H,24,27)