(2S)-2-[4-methoxy-3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]-3-(phenylmethyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: (2S)-2-[4-methoxy-3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]-3-(phenylmethyl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-3-benzyl-2-[4-methoxy-3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]-1,2-dihydroquinazolin-4-one CAS Name: (2S)-2-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-3-(phenylmethyl)-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-3-benzyl-2-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-3-benzyl-2-[4-methoxy-3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]-1,2-dihydroquinazolin-4-one Formula: C30H27N3O5 MolecularWeight: 509.55248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)C3NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)[C@H]3NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)OC)[N+](=O)[O-]

InChI

InChI=1S/C30H27N3O5/c1-20-16-24(13-14-27(20)33(35)36)38-19-23-17-22(12-15-28(23)37-2)29-31-26-11-7-6-10-25(26)30(34)32(29)18-21-8-4-3-5-9-21/h3-17,29,31H,18-19H2,1-2H3/t29-/m0/s1