2-[3-oxidanylidene-7-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinoxalin-1-yl]ethanenitrile

Systemtic Name: 2-[3-oxidanylidene-7-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinoxalin-1-yl]ethanenitrile Openeye Name: 2-[3-oxo-7-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinoxalin-1-yl]acetonitrile CAS Name: 2-[3-oxo-7-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinoxalin-1-yl]acetonitrile IUPAC Name: 2-[3-oxo-7-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinoxalin-1-yl]acetonitrile Traditional Name: 2-[3-keto-7-[4-(trifluoromethyl)phenyl]-2,4-dihydroquinoxalin-1-yl]acetonitrile Formula: C17H12F3N3O MolecularWeight: 331.29189

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(N1CC#N)C=C(C=C2)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1C(=O)NC2=C(N1CC#N)C=C(C=C2)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H12F3N3O/c18-17(19,20)13-4-1-11(2-5-13)12-3-6-14-15(9-12)23(8-7-21)10-16(24)22-14/h1-6,9H,8,10H2,(H,22,24)