2-[2-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)-4-bromanyl-phenoxy]-N-phenyl-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-phenyl-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-phenyl-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-phenylacetamide IUPAC Name: 2-[2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-4-bromophenoxy]-N-phenylacetamide Traditional Name: 2-[2-(2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)-4-bromo-phenoxy]-N-phenyl-acetamide Formula: C26H24BrN3O4 MolecularWeight: 522.39046

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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)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)C(=O)C1)C

InChI

InChI=1S/C26H24BrN3O4/c1-26(2)11-19(31)24-21(12-26)34-25(29)18(13-28)23(24)17-10-15(27)8-9-20(17)33-14-22(32)30-16-6-4-3-5-7-16/h3-10,23H,11-12,14,29H2,1-2H3,(H,30,32)