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

Systemtic Name: 2-[4-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)-2-ethoxy-phenoxy]-N-(4-bromanyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-ethoxy-phenoxy]-N-(4-bromo-2-methyl-phenyl)acetamide CAS Name: 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl)-2-ethoxyphenoxy]-N-(4-bromo-2-methylphenyl)acetamide IUPAC Name: 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-ethoxyphenoxy]-N-(4-bromo-2-methylphenyl)acetamide Traditional Name: 2-[4-(2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)-2-ethoxy-phenoxy]-N-(4-bromo-2-methyl-phenyl)acetamide Formula: C29H30BrN3O5 MolecularWeight: 580.4696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)OCC(=O)NC4=C(C=C(C=C4)Br)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)OCC(=O)NC4=C(C=C(C=C4)Br)C

InChI

InChI=1S/C29H30BrN3O5/c1-5-36-23-11-17(6-9-22(23)37-15-25(35)33-20-8-7-18(30)10-16(20)2)26-19(14-31)28(32)38-24-13-29(3,4)12-21(34)27(24)26/h6-11,26H,5,12-13,15,32H2,1-4H3,(H,33,35)