1-(1,3-dioxan-5-yloxy)-4-(3-fluorophenyl)-6-methoxy-isoquinoline-3-carbonitrile

Systemtic Name: 1-(1,3-dioxan-5-yloxy)-4-(3-fluorophenyl)-6-methoxy-isoquinoline-3-carbonitrile Openeye Name: 1-(1,3-dioxan-5-yloxy)-4-(3-fluorophenyl)-6-methoxy-isoquinoline-3-carbonitrile CAS Name: 1-(1,3-dioxan-5-yloxy)-4-(3-fluorophenyl)-6-methoxy-3-isoquinolinecarbonitrile IUPAC Name: 1-(1,3-dioxan-5-yloxy)-4-(3-fluorophenyl)-6-methoxyisoquinoline-3-carbonitrile Traditional Name: 1-(1,3-dioxan-5-yloxy)-4-(3-fluorophenyl)-6-methoxy-isoquinoline-3-carbonitrile Formula: C21H17FN2O4 MolecularWeight: 380.369083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=C2C3=CC(=CC=C3)F)C#N)OC4COCOC4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=C2C3=CC(=CC=C3)F)C#N)OC4COCOC4

InChI

InChI=1S/C21H17FN2O4/c1-25-15-5-6-17-18(8-15)20(13-3-2-4-14(22)7-13)19(9-23)24-21(17)28-16-10-26-12-27-11-16/h2-8,16H,10-12H2,1H3