methyl 3-[4-[2-(4-carbamimidoyl-2-fluoranyl-phenyl)-3-oxidanylidene-1H-pyrazol-5-yl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[2-(4-carbamimidoyl-2-fluoranyl-phenyl)-3-oxidanylidene-1H-pyrazol-5-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[2-(4-carbamimidoyl-2-fluoro-phenyl)-3-oxo-1H-pyrazol-5-yl]phenyl]propanoate CAS Name: 3-[4-[2-(4-carbamimidoyl-2-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-(4-carbamimidoyl-2-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]phenyl]propanoate Traditional Name: 3-[4-[1-(4-amidino-2-fluoro-phenyl)-5-keto-3-pyrazolin-3-yl]phenyl]propionic acid methyl ester Formula: C20H19FN4O3 MolecularWeight: 382.388263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C2=CC(=O)N(N2)C3=C(C=C(C=C3)C(=N)N)F

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C2=CC(=O)N(N2)C3=C(C=C(C=C3)C(=N)N)F

InChI

InChI=1S/C20H19FN4O3/c1-28-19(27)9-4-12-2-5-13(6-3-12)16-11-18(26)25(24-16)17-8-7-14(20(22)23)10-15(17)21/h2-3,5-8,10-11,24H,4,9H2,1H3,(H3,22,23)