2-[2-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)-4-bromanyl-phenoxy]-N-(3-chlorophenyl)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-chlorophenyl)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-(3-chlorophenyl)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-chlorophenyl)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-chlorophenyl)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-(3-chlorophenyl)acetamide Formula: C26H23BrClN3O4 MolecularWeight: 556.83552

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)Br)OCC(=O)NC4=CC(=CC=C4)Cl)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=C(C=CC(=C3)Br)OCC(=O)NC4=CC(=CC=C4)Cl)C(=O)C1)C

InChI

InChI=1S/C26H23BrClN3O4/c1-26(2)10-19(32)24-21(11-26)35-25(30)18(12-29)23(24)17-8-14(27)6-7-20(17)34-13-22(33)31-16-5-3-4-15(28)9-16/h3-9,23H,10-11,13,30H2,1-2H3,(H,31,33)