(2S)-2-(2-fluorophenyl)-6-nitro-1,3-bis(phenylmethyl)-2H-quinazolin-4-one

Systemtic Name: (2S)-2-(2-fluorophenyl)-6-nitro-1,3-bis(phenylmethyl)-2H-quinazolin-4-one Openeye Name: (2S)-1,3-dibenzyl-2-(2-fluorophenyl)-6-nitro-2H-quinazolin-4-one CAS Name: (2S)-2-(2-fluorophenyl)-6-nitro-1,3-bis(phenylmethyl)-2H-quinazolin-4-one IUPAC Name: (2S)-1,3-dibenzyl-2-(2-fluorophenyl)-6-nitro-2H-quinazolin-4-one Traditional Name: (2S)-1,3-dibenzyl-2-(2-fluorophenyl)-6-nitro-2H-quinazolin-4-one Formula: C28H22FN3O3 MolecularWeight: 467.490983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(N(C(=O)C3=C2C=CC(=C3)[N+](=O)[O-])CC4=CC=CC=C4)C5=CC=CC=C5F

Isomeric SMILES

C1=CC=C(C=C1)CN2[C@@H](N(C(=O)C3=C2C=CC(=C3)[N+](=O)[O-])CC4=CC=CC=C4)C5=CC=CC=C5F

InChI

InChI=1S/C28H22FN3O3/c29-25-14-8-7-13-23(25)27-30(18-20-9-3-1-4-10-20)26-16-15-22(32(34)35)17-24(26)28(33)31(27)19-21-11-5-2-6-12-21/h1-17,27H,18-19H2/t27-/m0/s1