4-(3-fluorophenyl)-1-(1H-imidazol-5-ylmethoxy)-6-methoxy-isoquinoline-3-carbonitrile

Systemtic Name: 4-(3-fluorophenyl)-1-(1H-imidazol-5-ylmethoxy)-6-methoxy-isoquinoline-3-carbonitrile Openeye Name: 4-(3-fluorophenyl)-1-(1H-imidazol-5-ylmethoxy)-6-methoxy-isoquinoline-3-carbonitrile CAS Name: 4-(3-fluorophenyl)-1-(1H-imidazol-5-ylmethoxy)-6-methoxy-3-isoquinolinecarbonitrile IUPAC Name: 4-(3-fluorophenyl)-1-(1H-imidazol-5-ylmethoxy)-6-methoxyisoquinoline-3-carbonitrile Traditional Name: 4-(3-fluorophenyl)-1-(1H-imidazol-5-ylmethoxy)-6-methoxy-isoquinoline-3-carbonitrile Formula: C21H15FN4O2 MolecularWeight: 374.367803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=C2C3=CC(=CC=C3)F)C#N)OCC4=CN=CN4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=C2C3=CC(=CC=C3)F)C#N)OCC4=CN=CN4

InChI

InChI=1S/C21H15FN4O2/c1-27-16-5-6-17-18(8-16)20(13-3-2-4-14(22)7-13)19(9-23)26-21(17)28-11-15-10-24-12-25-15/h2-8,10,12H,11H2,1H3,(H,24,25)