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

Systemtic Name: 2-[3-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)phenoxy]-N-(4-bromanyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[3-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)phenoxy]-N-(4-bromo-2-methyl-phenyl)acetamide CAS Name: 2-[3-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl)phenoxy]-N-(4-bromo-2-methylphenyl)acetamide IUPAC Name: 2-[3-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)phenoxy]-N-(4-bromo-2-methylphenyl)acetamide Traditional Name: 2-[3-(2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)phenoxy]-N-(4-bromo-2-methyl-phenyl)acetamide Formula: C27H26BrN3O4 MolecularWeight: 536.41704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26BrN3O4/c1-15-9-17(28)7-8-20(15)31-23(33)14-34-18-6-4-5-16(10-18)24-19(13-29)26(30)35-22-12-27(2,3)11-21(32)25(22)24/h4-10,24H,11-12,14,30H2,1-3H3,(H,31,33)