(2S,3R)-1-[4-oxidanylidene-2-(trifluoromethyl)quinazolin-3-yl]-3-phenyl-aziridine-2-carbonitrile

Systemtic Name: (2S,3R)-1-[4-oxidanylidene-2-(trifluoromethyl)quinazolin-3-yl]-3-phenyl-aziridine-2-carbonitrile Openeye Name: (2S,3R)-1-[4-oxo-2-(trifluoromethyl)quinazolin-3-yl]-3-phenyl-aziridine-2-carbonitrile CAS Name: (2S,3R)-1-[4-oxo-2-(trifluoromethyl)-3-quinazolinyl]-3-phenyl-2-aziridinecarbonitrile IUPAC Name: (2S,3R)-1-[4-oxo-2-(trifluoromethyl)quinazolin-3-yl]-3-phenylaziridine-2-carbonitrile Traditional Name: (2S,3R)-1-[4-keto-2-(trifluoromethyl)quinazolin-3-yl]-3-phenyl-ethylenimine-2-carbonitrile Formula: C18H11F3N4O MolecularWeight: 356.30135

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(N2N3C(=O)C4=CC=CC=C4N=C3C(F)(F)F)C#N

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]2[C@H](N2N3C(=O)C4=CC=CC=C4N=C3C(F)(F)F)C#N

InChI

InChI=1S/C18H11F3N4O/c19-18(20,21)17-23-13-9-5-4-8-12(13)16(26)25(17)24-14(10-22)15(24)11-6-2-1-3-7-11/h1-9,14-15H/t14-,15-,24?/m1/s1