2-[2-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)-4-bromanyl-phenoxy]-N-(3-methylphenyl)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-(3-methylphenyl)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-(m-tolyl)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-(3-methylphenyl)acetamide IUPAC Name: 2-[2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-4-bromophenoxy]-N-(3-methylphenyl)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-(m-tolyl)acetamide Formula: C27H26BrN3O4 MolecularWeight: 536.41704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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