6-nitro-2-(phenylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one

Systemtic Name: 6-nitro-2-(phenylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one Openeye Name: 2-benzyl-6-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one CAS Name: 6-nitro-2-(phenylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-4-quinazolinone IUPAC Name: 2-benzyl-6-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-one Traditional Name: 2-benzyl-6-nitro-1-[4-(trifluoromethyl)benzyl]quinazolin-4-one Formula: C23H16F3N3O3 MolecularWeight: 439.38665

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=O)C3=C(N2CC4=CC=C(C=C4)C(F)(F)F)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=O)C3=C(N2CC4=CC=C(C=C4)C(F)(F)F)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H16F3N3O3/c24-23(25,26)17-8-6-16(7-9-17)14-28-20-11-10-18(29(31)32)13-19(20)22(30)27-21(28)12-15-4-2-1-3-5-15/h1-11,13H,12,14H2