4-[[6-(4-carbamimidoylphenyl)-3-(dimethylamino)pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[6-(4-carbamimidoylphenyl)-3-(dimethylamino)pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[6-(4-carbamimidoylphenyl)-3-(dimethylamino)pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[6-(4-carbamimidoylphenyl)-3-(dimethylamino)-4-pyridazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[6-(4-carbamimidoylphenyl)-3-(dimethylamino)pyridazine-4-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[6-(4-amidinophenyl)-3-(dimethylamino)pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NN=C(C=C1C(=O)NC2CCC(CC2)C(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN(C)C1=NN=C(C=C1C(=O)NC2CCC(CC2)C(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H26N6O3/c1-27(2)19-16(20(28)24-15-9-7-14(8-10-15)21(29)30)11-17(25-26-19)12-3-5-13(6-4-12)18(22)23/h3-6,11,14-15H,7-10H2,1-2H3,(H3,22,23)(H,24,28)(H,29,30)