4-(3-fluorophenyl)-6-methoxy-1-(3-oxidanylpropylamino)isoquinoline-3-carbonitrile

Systemtic Name: 4-(3-fluorophenyl)-6-methoxy-1-(3-oxidanylpropylamino)isoquinoline-3-carbonitrile Openeye Name: 4-(3-fluorophenyl)-1-(3-hydroxypropylamino)-6-methoxy-isoquinoline-3-carbonitrile CAS Name: 4-(3-fluorophenyl)-1-(3-hydroxypropylamino)-6-methoxy-3-isoquinolinecarbonitrile IUPAC Name: 4-(3-fluorophenyl)-1-(3-hydroxypropylamino)-6-methoxyisoquinoline-3-carbonitrile Traditional Name: 4-(3-fluorophenyl)-1-(3-hydroxypropylamino)-6-methoxy-isoquinoline-3-carbonitrile Formula: C20H18FN3O2 MolecularWeight: 351.374223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=C2C3=CC(=CC=C3)F)C#N)NCCCO

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=C2C3=CC(=CC=C3)F)C#N)NCCCO

InChI

InChI=1S/C20H18FN3O2/c1-26-15-6-7-16-17(11-15)19(13-4-2-5-14(21)10-13)18(12-22)24-20(16)23-8-3-9-25/h2,4-7,10-11,25H,3,8-9H2,1H3,(H,23,24)