1-(1,4-dioxan-2-ylmethylamino)-4-(3-fluorophenyl)-6-methoxy-isoquinoline-3-carbonitrile

Systemtic Name: 1-(1,4-dioxan-2-ylmethylamino)-4-(3-fluorophenyl)-6-methoxy-isoquinoline-3-carbonitrile Openeye Name: 1-(1,4-dioxan-2-ylmethylamino)-4-(3-fluorophenyl)-6-methoxy-isoquinoline-3-carbonitrile CAS Name: 1-(1,4-dioxan-2-ylmethylamino)-4-(3-fluorophenyl)-6-methoxy-3-isoquinolinecarbonitrile IUPAC Name: 1-(1,4-dioxan-2-ylmethylamino)-4-(3-fluorophenyl)-6-methoxyisoquinoline-3-carbonitrile Traditional Name: 1-(1,4-dioxan-2-ylmethylamino)-4-(3-fluorophenyl)-6-methoxy-isoquinoline-3-carbonitrile Formula: C22H20FN3O3 MolecularWeight: 393.410903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=C2C3=CC(=CC=C3)F)C#N)NCC4COCCO4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=C2C3=CC(=CC=C3)F)C#N)NCC4COCCO4

InChI

InChI=1S/C22H20FN3O3/c1-27-16-5-6-18-19(10-16)21(14-3-2-4-15(23)9-14)20(11-24)26-22(18)25-12-17-13-28-7-8-29-17/h2-6,9-10,17H,7-8,12-13H2,1H3,(H,25,26)