[[4-fluoranyl-2-(pyridin-4-ylamino)-1,3-dihydroisoindol-5-yl]-dimethyl-azaniumyl]methanoate

Systemtic Name: [[4-fluoranyl-2-(pyridin-4-ylamino)-1,3-dihydroisoindol-5-yl]-dimethyl-azaniumyl]methanoate Openeye Name: [[4-fluoro-2-(4-pyridylamino)isoindolin-5-yl]-dimethyl-ammonio]formate CAS Name: [[4-fluoro-2-(pyridin-4-ylamino)-1,3-dihydroisoindol-5-yl]-dimethylammonio]formate IUPAC Name: [[4-fluoro-2-(pyridin-4-ylamino)-1,3-dihydroisoindol-5-yl]-dimethylazaniumyl]formate Traditional Name: [[4-fluoro-2-(4-pyridylamino)isoindolin-5-yl]-dimethyl-ammonio]formate Formula: C16H17FN4O2 MolecularWeight: 316.330183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1=C(C2=C(CN(C2)NC3=CC=NC=C3)C=C1)F)C(=O)[O-]

Isomeric SMILES

C[N+](C)(C1=C(C2=C(CN(C2)NC3=CC=NC=C3)C=C1)F)C(=O)[O-]

InChI

InChI=1S/C16H17FN4O2/c1-21(2,16(22)23)14-4-3-11-9-20(10-13(11)15(14)17)19-12-5-7-18-8-6-12/h3-8H,9-10H2,1-2H3,(H-,18,19,22,23)