3-[[4-(4-methoxyphenyl)phenyl]methyl]-6-nitro-2-(phenylmethyl)quinazolin-4-one

Systemtic Name: 3-[[4-(4-methoxyphenyl)phenyl]methyl]-6-nitro-2-(phenylmethyl)quinazolin-4-one Openeye Name: 2-benzyl-3-[[4-(4-methoxyphenyl)phenyl]methyl]-6-nitro-quinazolin-4-one CAS Name: 3-[[4-(4-methoxyphenyl)phenyl]methyl]-6-nitro-2-(phenylmethyl)-4-quinazolinone IUPAC Name: 2-benzyl-3-[[4-(4-methoxyphenyl)phenyl]methyl]-6-nitroquinazolin-4-one Traditional Name: 2-benzyl-3-[4-(4-methoxyphenyl)benzyl]-6-nitro-quinazolin-4-one Formula: C29H23N3O4 MolecularWeight: 477.51062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)CN3C(=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)CN3C(=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C29H23N3O4/c1-36-25-14-11-23(12-15-25)22-9-7-21(8-10-22)19-31-28(17-20-5-3-2-4-6-20)30-27-16-13-24(32(34)35)18-26(27)29(31)33/h2-16,18H,17,19H2,1H3