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

Systemtic Name: 2-[4-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)-2-bromanyl-6-ethoxy-phenoxy]-N-(3,5-dimethylphenyl)ethanamide Openeye Name: 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-bromo-6-ethoxy-phenoxy]-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl)-2-bromo-6-ethoxyphenoxy]-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-bromo-6-ethoxyphenoxy]-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-[4-(2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)-2-bromo-6-ethoxy-phenoxy]-N-(3,5-dimethylphenyl)acetamide Formula: C30H32BrN3O5 MolecularWeight: 594.49618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H32BrN3O5/c1-6-37-23-11-18(26-20(14-32)29(33)39-24-13-30(4,5)12-22(35)27(24)26)10-21(31)28(23)38-15-25(36)34-19-8-16(2)7-17(3)9-19/h7-11,26H,6,12-13,15,33H2,1-5H3,(H,34,36)