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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)COC2=CC=CC(=C2)C3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)COC2=CC=CC(=C2)C3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N)C)Br

InChI

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