2-[4-(4-methoxyphenyl)-3-oxidanyl-2-oxidanylidene-6-(trifluoromethyl)-5H-1-benzazepin-1-yl]ethanenitrile

Systemtic Name: 2-[4-(4-methoxyphenyl)-3-oxidanyl-2-oxidanylidene-6-(trifluoromethyl)-5H-1-benzazepin-1-yl]ethanenitrile Openeye Name: 2-[3-hydroxy-4-(4-methoxyphenyl)-2-oxo-6-(trifluoromethyl)-5H-1-benzazepin-1-yl]acetonitrile CAS Name: 2-[3-hydroxy-4-(4-methoxyphenyl)-2-oxo-6-(trifluoromethyl)-5H-1-benzazepin-1-yl]acetonitrile IUPAC Name: 2-[3-hydroxy-4-(4-methoxyphenyl)-2-oxo-6-(trifluoromethyl)-5H-1-benzazepin-1-yl]acetonitrile Traditional Name: 2-[3-hydroxy-2-keto-4-(4-methoxyphenyl)-6-(trifluoromethyl)-5H-1-benzazepin-1-yl]acetonitrile Formula: C20H15F3N2O3 MolecularWeight: 388.33991

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N(C3=CC=CC(=C3C2)C(F)(F)F)CC#N)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N(C3=CC=CC(=C3C2)C(F)(F)F)CC#N)O

InChI

InChI=1S/C20H15F3N2O3/c1-28-13-7-5-12(6-8-13)14-11-15-16(20(21,22)23)3-2-4-17(15)25(10-9-24)19(27)18(14)26/h2-8,26H,10-11H2,1H3