6-[6-(4-carbamimidoylphenyl)-3-(methylamino)-1H-pyridazin-2-yl]hexanoic acid

Systemtic Name: 6-[6-(4-carbamimidoylphenyl)-3-(methylamino)-1H-pyridazin-2-yl]hexanoic acid Openeye Name: 6-[6-(4-carbamimidoylphenyl)-3-(methylamino)-1H-pyridazin-2-yl]hexanoic acid CAS Name: 6-[6-(4-carbamimidoylphenyl)-3-(methylamino)-1H-pyridazin-2-yl]hexanoic acid IUPAC Name: 6-[6-(4-carbamimidoylphenyl)-3-(methylamino)-1H-pyridazin-2-yl]hexanoic acid Traditional Name: 6-[6-(4-amidinophenyl)-3-(methylamino)-1H-pyridazin-2-yl]hexanoic acid Formula: C18H25N5O2 MolecularWeight: 343.4234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=C(NN1CCCCCC(=O)O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CNC1=CC=C(NN1CCCCCC(=O)O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C18H25N5O2/c1-21-16-11-10-15(13-6-8-14(9-7-13)18(19)20)22-23(16)12-4-2-3-5-17(24)25/h6-11,21-22H,2-5,12H2,1H3,(H3,19,20)(H,24,25)