2-[2,3-bis(oxidanyl)propyl]-4-(2-fluorophenyl)-6-methoxy-1-oxidanylidene-isoquinoline-3-carbonitrile

Systemtic Name: 2-[2,3-bis(oxidanyl)propyl]-4-(2-fluorophenyl)-6-methoxy-1-oxidanylidene-isoquinoline-3-carbonitrile Openeye Name: 2-(2,3-dihydroxypropyl)-4-(2-fluorophenyl)-6-methoxy-1-oxo-isoquinoline-3-carbonitrile CAS Name: 2-(2,3-dihydroxypropyl)-4-(2-fluorophenyl)-6-methoxy-1-oxo-3-isoquinolinecarbonitrile IUPAC Name: 2-(2,3-dihydroxypropyl)-4-(2-fluorophenyl)-6-methoxy-1-oxoisoquinoline-3-carbonitrile Traditional Name: 4-(2-fluorophenyl)-2-glyceryl-1-keto-6-methoxy-isoquinoline-3-carbonitrile Formula: C20H17FN2O4 MolecularWeight: 368.358383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3F)C#N)CC(CO)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3F)C#N)CC(CO)O

InChI

InChI=1S/C20H17FN2O4/c1-27-13-6-7-14-16(8-13)19(15-4-2-3-5-17(15)21)18(9-22)23(20(14)26)10-12(25)11-24/h2-8,12,24-25H,10-11H2,1H3