3-[3-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-phenyl-imidazol-4-yl]propanoic acid

Systemtic Name: 3-[3-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-phenyl-imidazol-4-yl]propanoic acid Openeye Name: 3-[3-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-phenyl-imidazol-4-yl]propanoic acid CAS Name: 3-[3-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-2-phenyl-4-imidazolyl]propanoic acid IUPAC Name: 3-[3-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-phenylimidazol-4-yl]propanoic acid Traditional Name: 3-[3-[6-(4-amidinophenyl)pyridazin-3-yl]-2-phenyl-imidazol-4-yl]propionic acid Formula: C23H20N6O2 MolecularWeight: 412.4439

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC=C(N2C3=NN=C(C=C3)C4=CC=C(C=C4)C(=N)N)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC=C(N2C3=NN=C(C=C3)C4=CC=C(C=C4)C(=N)N)CCC(=O)O

InChI

InChI=1S/C23H20N6O2/c24-22(25)16-8-6-15(7-9-16)19-11-12-20(28-27-19)29-18(10-13-21(30)31)14-26-23(29)17-4-2-1-3-5-17/h1-9,11-12,14H,10,13H2,(H3,24,25)(H,30,31)