3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-indol-3-yl]propanoic acid

Systemtic Name: 3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-indol-3-yl]propanoic acid Openeye Name: 3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-indol-3-yl]propanoic acid CAS Name: 3-[2-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-1H-indol-3-yl]propanoic acid IUPAC Name: 3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-indol-3-yl]propanoic acid Traditional Name: 3-[2-[6-(4-amidinophenyl)pyridazin-3-yl]-1H-indol-3-yl]propionic acid Formula: C22H19N5O2 MolecularWeight: 385.41856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2)C3=NN=C(C=C3)C4=CC=C(C=C4)C(=N)N)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2)C3=NN=C(C=C3)C4=CC=C(C=C4)C(=N)N)CCC(=O)O

InChI

InChI=1S/C22H19N5O2/c23-22(24)14-7-5-13(6-8-14)17-10-11-19(27-26-17)21-16(9-12-20(28)29)15-3-1-2-4-18(15)25-21/h1-8,10-11,25H,9,12H2,(H3,23,24)(H,28,29)