3-[[4-(3-ethanoylphenyl)phenyl]methyl]-6-nitro-2-propyl-quinazolin-4-one

Systemtic Name: 3-[[4-(3-ethanoylphenyl)phenyl]methyl]-6-nitro-2-propyl-quinazolin-4-one Openeye Name: 3-[[4-(3-acetylphenyl)phenyl]methyl]-6-nitro-2-propyl-quinazolin-4-one CAS Name: 3-[[4-(3-acetylphenyl)phenyl]methyl]-6-nitro-2-propyl-4-quinazolinone IUPAC Name: 3-[[4-(3-acetylphenyl)phenyl]methyl]-6-nitro-2-propylquinazolin-4-one Traditional Name: 3-[4-(3-acetylphenyl)benzyl]-6-nitro-2-propyl-quinazolin-4-one Formula: C26H23N3O4 MolecularWeight: 441.47852

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1CC3=CC=C(C=C3)C4=CC(=CC=C4)C(=O)C

Isomeric SMILES

CCCC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1CC3=CC=C(C=C3)C4=CC(=CC=C4)C(=O)C

InChI

InChI=1S/C26H23N3O4/c1-3-5-25-27-24-13-12-22(29(32)33)15-23(24)26(31)28(25)16-18-8-10-19(11-9-18)21-7-4-6-20(14-21)17(2)30/h4,6-15H,3,5,16H2,1-2H3