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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC(=CC=C3)F)C#N)CC(CO)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC(=CC=C3)F)C#N)CC(CO)O

InChI

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