4-[[6-(4-carbamimidoyl-2-methyl-phenyl)-2-methyl-3-oxidanylidene-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[6-(4-carbamimidoyl-2-methyl-phenyl)-2-methyl-3-oxidanylidene-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[6-(4-carbamimidoyl-2-methyl-phenyl)-2-methyl-3-oxo-pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[6-(4-carbamimidoyl-2-methylphenyl)-2-methyl-3-oxo-4-pyridazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[6-(4-carbamimidoyl-2-methylphenyl)-2-methyl-3-oxopyridazine-4-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[6-(4-amidino-2-methyl-phenyl)-3-keto-2-methyl-pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=N)N)C2=NN(C(=O)C(=C2)C(=O)NC3CCC(CC3)C(=O)O)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=N)N)C2=NN(C(=O)C(=C2)C(=O)NC3CCC(CC3)C(=O)O)C

InChI

InChI=1S/C21H25N5O4/c1-11-9-13(18(22)23)5-8-15(11)17-10-16(20(28)26(2)25-17)19(27)24-14-6-3-12(4-7-14)21(29)30/h5,8-10,12,14H,3-4,6-7H2,1-2H3,(H3,22,23)(H,24,27)(H,29,30)