2-[2-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)-4-bromanyl-phenoxy]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[2-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)-4-bromanyl-phenoxy]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-4-bromo-phenoxy]-N-(4-fluorophenyl)acetamide CAS Name: 2-[2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl)-4-bromophenoxy]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-4-bromophenoxy]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[2-(2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)-4-bromo-phenoxy]-N-(4-fluorophenyl)acetamide Formula: C26H23BrFN3O4 MolecularWeight: 540.380923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)Br)OCC(=O)NC4=CC=C(C=C4)F)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)Br)OCC(=O)NC4=CC=C(C=C4)F)C(=O)C1)C

InChI

InChI=1S/C26H23BrFN3O4/c1-26(2)10-19(32)24-21(11-26)35-25(30)18(12-29)23(24)17-9-14(27)3-8-20(17)34-13-22(33)31-16-6-4-15(28)5-7-16/h3-9,23H,10-11,13,30H2,1-2H3,(H,31,33)