4-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-methyl-amino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-methyl-amino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-methyl-amino]cyclohexanecarboxylic acid CAS Name: 4-[[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-methylamino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-methylamino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[6-(4-amidinophenyl)pyridazin-3-yl]-methyl-amino]cyclohexanecarboxylic acid Formula: C19H23N5O2 MolecularWeight: 353.41822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O2/c1-24(15-8-6-14(7-9-15)19(25)26)17-11-10-16(22-23-17)12-2-4-13(5-3-12)18(20)21/h2-5,10-11,14-15H,6-9H2,1H3,(H3,20,21)(H,25,26)