4-[2-(4-cyanophenyl)-5-fluoranyl-6-morpholin-4-ylcarbonyl-1,3-benzodioxol-2-yl]benzenecarbonitrile

Systemtic Name: 4-[2-(4-cyanophenyl)-5-fluoranyl-6-morpholin-4-ylcarbonyl-1,3-benzodioxol-2-yl]benzenecarbonitrile Openeye Name: 4-[2-(4-cyanophenyl)-5-fluoro-6-(morpholine-4-carbonyl)-1,3-benzodioxol-2-yl]benzonitrile CAS Name: 4-[2-(4-cyanophenyl)-5-fluoro-6-[4-morpholinyl(oxo)methyl]-1,3-benzodioxol-2-yl]benzonitrile IUPAC Name: 4-[2-(4-cyanophenyl)-5-fluoro-6-(morpholine-4-carbonyl)-1,3-benzodioxol-2-yl]benzonitrile Traditional Name: 4-[2-(4-cyanophenyl)-5-fluoro-6-(morpholine-4-carbonyl)-1,3-benzodioxol-2-yl]benzonitrile Formula: C26H18FN3O4 MolecularWeight: 455.437223

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC3=C(C=C2F)OC(O3)(C4=CC=C(C=C4)C#N)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1COCCN1C(=O)C2=CC3=C(C=C2F)OC(O3)(C4=CC=C(C=C4)C#N)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C26H18FN3O4/c27-22-14-24-23(13-21(22)25(31)30-9-11-32-12-10-30)33-26(34-24,19-5-1-17(15-28)2-6-19)20-7-3-18(16-29)4-8-20/h1-8,13-14H,9-12H2