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

Systemtic Name: 4-[2-(4-cyano-2-fluoranyl-phenyl)-5-fluoranyl-6-morpholin-4-ylcarbonyl-1,3-benzodioxol-2-yl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[2-(4-cyano-2-fluoro-phenyl)-5-fluoro-6-(morpholine-4-carbonyl)-1,3-benzodioxol-2-yl]-3-fluoro-benzonitrile CAS Name: 4-[2-(4-cyano-2-fluorophenyl)-5-fluoro-6-[4-morpholinyl(oxo)methyl]-1,3-benzodioxol-2-yl]-3-fluorobenzonitrile IUPAC Name: 4-[2-(4-cyano-2-fluorophenyl)-5-fluoro-6-(morpholine-4-carbonyl)-1,3-benzodioxol-2-yl]-3-fluorobenzonitrile Traditional Name: 4-[2-(4-cyano-2-fluoro-phenyl)-5-fluoro-6-(morpholine-4-carbonyl)-1,3-benzodioxol-2-yl]-3-fluoro-benzonitrile Formula: C26H16F3N3O4 MolecularWeight: 491.41815

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H16F3N3O4/c27-20-12-24-23(11-17(20)25(33)32-5-7-34-8-6-32)35-26(36-24,18-3-1-15(13-30)9-21(18)28)19-4-2-16(14-31)10-22(19)29/h1-4,9-12H,5-8H2