3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-pyridin-3-yl-imidazol-4-yl]propanoic acid

Systemtic Name: 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-pyridin-3-yl-imidazol-4-yl]propanoic acid Openeye Name: 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-(3-pyridyl)imidazol-4-yl]propanoic acid CAS Name: 3-[1-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-2-(3-pyridinyl)-4-imidazolyl]propanoic acid IUPAC Name: 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-pyridin-3-ylimidazol-4-yl]propanoic acid Traditional Name: 3-[1-[6-(4-amidinophenyl)pyridazin-3-yl]-2-(3-pyridyl)imidazol-4-yl]propionic acid Formula: C22H19N7O2 MolecularWeight: 413.43196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NC(=CN2C3=NN=C(C=C3)C4=CC=C(C=C4)C(=N)N)CCC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)C2=NC(=CN2C3=NN=C(C=C3)C4=CC=C(C=C4)C(=N)N)CCC(=O)O

InChI

InChI=1S/C22H19N7O2/c23-21(24)15-5-3-14(4-6-15)18-8-9-19(28-27-18)29-13-17(7-10-20(30)31)26-22(29)16-2-1-11-25-12-16/h1-6,8-9,11-13H,7,10H2,(H3,23,24)(H,30,31)