2-azanyl-1-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-one

Systemtic Name: 2-azanyl-1-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-one Openeye Name: 2-amino-1-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-one CAS Name: 2-amino-1-[[3-(trifluoromethyl)phenyl]methyl]-4-quinazolinone IUPAC Name: 2-amino-1-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-one Traditional Name: 2-amino-1-[3-(trifluoromethyl)benzyl]quinazolin-4-one Formula: C16H12F3N3O MolecularWeight: 319.28119

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2CC3=CC(=CC=C3)C(F)(F)F)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2CC3=CC(=CC=C3)C(F)(F)F)N

InChI

InChI=1S/C16H12F3N3O/c17-16(18,19)11-5-3-4-10(8-11)9-22-13-7-2-1-6-12(13)14(23)21-15(22)20/h1-8H,9H2,(H2,20,21,23)