2-[2-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)-4-bromanyl-phenoxy]-N-(2,3-dimethylphenyl)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-(2,3-dimethylphenyl)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-(2,3-dimethylphenyl)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-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-4-bromophenoxy]-N-(2,3-dimethylphenyl)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-(2,3-dimethylphenyl)acetamide Formula: C28H28BrN3O4 MolecularWeight: 550.44362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)COC2=C(C=C(C=C2)Br)C3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)COC2=C(C=C(C=C2)Br)C3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N)C

InChI

InChI=1S/C28H28BrN3O4/c1-15-6-5-7-20(16(15)2)32-24(34)14-35-22-9-8-17(29)10-18(22)25-19(13-30)27(31)36-23-12-28(3,4)11-21(33)26(23)25/h5-10,25H,11-12,14,31H2,1-4H3,(H,32,34)