2-[4-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-methyl-amino]cyclohexyl]ethanoic acid

Systemtic Name: 2-[4-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-methyl-amino]cyclohexyl]ethanoic acid Openeye Name: 2-[4-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-methyl-amino]cyclohexyl]acetic acid CAS Name: 2-[4-[[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-methylamino]cyclohexyl]acetic acid IUPAC Name: 2-[4-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-methylamino]cyclohexyl]acetic acid Traditional Name: 2-[4-[[6-(4-amidinophenyl)pyridazin-3-yl]-methyl-amino]cyclohexyl]acetic acid Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O2/c1-25(16-8-2-13(3-9-16)12-19(26)27)18-11-10-17(23-24-18)14-4-6-15(7-5-14)20(21)22/h4-7,10-11,13,16H,2-3,8-9,12H2,1H3,(H3,21,22)(H,26,27)