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

Systemtic Name: 3-[4-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[6-(4-amidinophenyl)pyridazin-3-yl]piperazino]propionic acid Formula: C18H22N6O2 MolecularWeight: 354.40628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C18H22N6O2/c19-18(20)14-3-1-13(2-4-14)15-5-6-16(22-21-15)24-11-9-23(10-12-24)8-7-17(25)26/h1-6H,7-12H2,(H3,19,20)(H,25,26)