2-[2-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)-4-bromanyl-phenoxy]-N-[3-(trifluoromethyl)phenyl]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-[3-(trifluoromethyl)phenyl]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-[3-(trifluoromethyl)phenyl]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-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-4-bromophenoxy]-N-[3-(trifluoromethyl)phenyl]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-[3-(trifluoromethyl)phenyl]acetamide Formula: C27H23BrF3N3O4 MolecularWeight: 590.38843

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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=CC(=C4)C(F)(F)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=CC(=C4)C(F)(F)F)C(=O)C1)C

InChI

InChI=1S/C27H23BrF3N3O4/c1-26(2)10-19(35)24-21(11-26)38-25(33)18(12-32)23(24)17-9-15(28)6-7-20(17)37-13-22(36)34-16-5-3-4-14(8-16)27(29,30)31/h3-9,23H,10-11,13,33H2,1-2H3,(H,34,36)