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

Systemtic Name: methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-propan-2-yl-imidazol-4-yl]propanoate Openeye Name: methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-isopropyl-imidazol-4-yl]propanoate CAS Name: 3-[1-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-2-propan-2-yl-4-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-propan-2-ylimidazol-4-yl]propanoate Traditional Name: 3-[1-[6-(4-amidinophenyl)pyridazin-3-yl]-2-isopropyl-imidazol-4-yl]propionic acid methyl ester Formula: C21H24N6O2 MolecularWeight: 392.45426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=CN1C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N)CCC(=O)OC

Isomeric SMILES

CC(C)C1=NC(=CN1C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N)CCC(=O)OC

InChI

InChI=1S/C21H24N6O2/c1-13(2)21-24-16(8-11-19(28)29-3)12-27(21)18-10-9-17(25-26-18)14-4-6-15(7-5-14)20(22)23/h4-7,9-10,12-13H,8,11H2,1-3H3,(H3,22,23)