4-(3-fluorophenyl)-6-methoxy-1-oxidanylidene-2-(3-oxidanylpropyl)isoquinoline-3-carbonitrile

Systemtic Name: 4-(3-fluorophenyl)-6-methoxy-1-oxidanylidene-2-(3-oxidanylpropyl)isoquinoline-3-carbonitrile Openeye Name: 4-(3-fluorophenyl)-2-(3-hydroxypropyl)-6-methoxy-1-oxo-isoquinoline-3-carbonitrile CAS Name: 4-(3-fluorophenyl)-2-(3-hydroxypropyl)-6-methoxy-1-oxo-3-isoquinolinecarbonitrile IUPAC Name: 4-(3-fluorophenyl)-2-(3-hydroxypropyl)-6-methoxy-1-oxoisoquinoline-3-carbonitrile Traditional Name: 4-(3-fluorophenyl)-2-(3-hydroxypropyl)-1-keto-6-methoxy-isoquinoline-3-carbonitrile Formula: C20H17FN2O3 MolecularWeight: 352.358983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17FN2O3/c1-26-15-6-7-16-17(11-15)19(13-4-2-5-14(21)10-13)18(12-22)23(20(16)25)8-3-9-24/h2,4-7,10-11,24H,3,8-9H2,1H3