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

Systemtic Name: 2-[4-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)-2-methoxy-phenoxy]-N-(4-bromanyl-2-fluoranyl-phenyl)ethanamide Openeye Name: 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-methoxy-phenoxy]-N-(4-bromo-2-fluoro-phenyl)acetamide CAS Name: 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl)-2-methoxyphenoxy]-N-(4-bromo-2-fluorophenyl)acetamide IUPAC Name: 2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-methoxyphenoxy]-N-(4-bromo-2-fluorophenyl)acetamide Traditional Name: 2-[4-(2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)-2-methoxy-phenoxy]-N-(4-bromo-2-fluoro-phenyl)acetamide Formula: C27H25BrFN3O5 MolecularWeight: 570.406903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25BrFN3O5/c1-27(2)10-19(33)25-22(11-27)37-26(31)16(12-30)24(25)14-4-7-20(21(8-14)35-3)36-13-23(34)32-18-6-5-15(28)9-17(18)29/h4-9,24H,10-11,13,31H2,1-3H3,(H,32,34)