methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-pyridin-3-yl-imidazol-4-yl]propanoate

Systemtic Name: methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-pyridin-3-yl-imidazol-4-yl]propanoate Openeye Name: methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-(3-pyridyl)imidazol-4-yl]propanoate CAS Name: 3-[1-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-2-(3-pyridinyl)-4-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-pyridin-3-ylimidazol-4-yl]propanoate Traditional Name: 3-[1-[6-(4-amidinophenyl)pyridazin-3-yl]-2-(3-pyridyl)imidazol-4-yl]propionic acid methyl ester Formula: C23H21N7O2 MolecularWeight: 427.45854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CN(C(=N1)C2=CN=CC=C2)C3=NN=C(C=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CN(C(=N1)C2=CN=CC=C2)C3=NN=C(C=C3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C23H21N7O2/c1-32-21(31)11-8-18-14-30(23(27-18)17-3-2-12-26-13-17)20-10-9-19(28-29-20)15-4-6-16(7-5-15)22(24)25/h2-7,9-10,12-14H,8,11H2,1H3,(H3,24,25)