2-[4-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)-2-methoxy-phenoxy]-N-(4-bromophenyl)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-bromophenyl)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-bromophenyl)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-bromophenyl)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-bromophenyl)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-bromophenyl)acetamide Formula: C27H26BrN3O5 MolecularWeight: 552.41644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H26BrN3O5/c1-27(2)11-19(32)25-22(12-27)36-26(30)18(13-29)24(25)15-4-9-20(21(10-15)34-3)35-14-23(33)31-17-7-5-16(28)6-8-17/h4-10,24H,11-12,14,30H2,1-3H3,(H,31,33)