4-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]butanoic acid

Systemtic Name: 4-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]butanoic acid Openeye Name: 4-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]butanoic acid CAS Name: 4-[2-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-1H-imidazol-5-yl]butanoic acid IUPAC Name: 4-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]butanoic acid Traditional Name: 4-[2-[6-(4-amidinophenyl)pyridazin-3-yl]-1H-imidazol-5-yl]butyric acid Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C(C=C2)C3=NC=C(N3)CCCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C(C=C2)C3=NC=C(N3)CCCC(=O)O)C(=N)N

InChI

InChI=1S/C18H18N6O2/c19-17(20)12-6-4-11(5-7-12)14-8-9-15(24-23-14)18-21-10-13(22-18)2-1-3-16(25)26/h4-10H,1-3H2,(H3,19,20)(H,21,22)(H,25,26)