4-[6-(4-carbamimidoylphenyl)-3-(methylamino)-1H-pyridazin-2-yl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[6-(4-carbamimidoylphenyl)-3-(methylamino)-1H-pyridazin-2-yl]cyclohexane-1-carboxylic acid Openeye Name: 4-[6-(4-carbamimidoylphenyl)-3-(methylamino)-1H-pyridazin-2-yl]cyclohexanecarboxylic acid CAS Name: 4-[6-(4-carbamimidoylphenyl)-3-(methylamino)-1H-pyridazin-2-yl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[6-(4-carbamimidoylphenyl)-3-(methylamino)-1H-pyridazin-2-yl]cyclohexane-1-carboxylic acid Traditional Name: 4-[6-(4-amidinophenyl)-3-(methylamino)-1H-pyridazin-2-yl]cyclohexanecarboxylic acid Formula: C19H25N5O2 MolecularWeight: 355.4341

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=C(NN1C2CCC(CC2)C(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CNC1=CC=C(NN1C2CCC(CC2)C(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H25N5O2/c1-22-17-11-10-16(12-2-4-13(5-3-12)18(20)21)23-24(17)15-8-6-14(7-9-15)19(25)26/h2-5,10-11,14-15,22-23H,6-9H2,1H3,(H3,20,21)(H,25,26)