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

Systemtic Name: 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]indol-3-yl]propanoic acid Openeye Name: 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]indol-3-yl]propanoic acid CAS Name: 3-[1-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-3-indolyl]propanoic acid IUPAC Name: 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]indol-3-yl]propanoic acid Traditional Name: 3-[1-[6-(4-amidinophenyl)pyridazin-3-yl]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(=CN2C3=NN=C(C=C3)C4=CC=C(C=C4)C(=N)N)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2C3=NN=C(C=C3)C4=CC=C(C=C4)C(=N)N)CCC(=O)O

InChI

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