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

Systemtic Name: 4-[2-(4-bromophenyl)-5-fluoranyl-6-morpholin-4-ylcarbonyl-1,3-benzodioxol-2-yl]benzenecarbonitrile Openeye Name: 4-[2-(4-bromophenyl)-5-fluoro-6-(morpholine-4-carbonyl)-1,3-benzodioxol-2-yl]benzonitrile CAS Name: 4-[2-(4-bromophenyl)-5-fluoro-6-[4-morpholinyl(oxo)methyl]-1,3-benzodioxol-2-yl]benzonitrile IUPAC Name: 4-[2-(4-bromophenyl)-5-fluoro-6-(morpholine-4-carbonyl)-1,3-benzodioxol-2-yl]benzonitrile Traditional Name: 4-[2-(4-bromophenyl)-5-fluoro-6-(morpholine-4-carbonyl)-1,3-benzodioxol-2-yl]benzonitrile Formula: C25H18BrFN2O4 MolecularWeight: 509.323823

Click to see the large picture

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)Br

Isomeric SMILES

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

InChI

InChI=1S/C25H18BrFN2O4/c26-19-7-5-18(6-8-19)25(17-3-1-16(15-28)2-4-17)32-22-13-20(21(27)14-23(22)33-25)24(30)29-9-11-31-12-10-29/h1-8,13-14H,9-12H2