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

Systemtic Name: 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-phenethyl-imidazol-4-yl]propanoic acid Openeye Name: 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-phenethyl-imidazol-4-yl]propanoic acid CAS Name: 3-[1-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-2-phenethyl-4-imidazolyl]propanoic acid IUPAC Name: 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2-phenethylimidazol-4-yl]propanoic acid Traditional Name: 3-[1-[6-(4-amidinophenyl)pyridazin-3-yl]-2-phenethyl-imidazol-4-yl]propionic acid Formula: C25H24N6O2 MolecularWeight: 440.49706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NC(=CN2C3=NN=C(C=C3)C4=CC=C(C=C4)C(=N)N)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NC(=CN2C3=NN=C(C=C3)C4=CC=C(C=C4)C(=N)N)CCC(=O)O

InChI

InChI=1S/C25H24N6O2/c26-25(27)19-9-7-18(8-10-19)21-12-14-23(30-29-21)31-16-20(11-15-24(32)33)28-22(31)13-6-17-4-2-1-3-5-17/h1-5,7-10,12,14,16H,6,11,13,15H2,(H3,26,27)(H,32,33)