N-hexyl-4-methyl-N-[1-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-3-nitro-benzamide

Systemtic Name: N-hexyl-4-methyl-N-[1-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-3-nitro-benzamide Openeye Name: N-hexyl-4-methyl-3-nitro-N-[1-[4-oxo-3-(p-tolyl)quinazolin-2-yl]propyl]benzamide CAS Name: N-hexyl-4-methyl-N-[1-[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]propyl]-3-nitrobenzamide IUPAC Name: N-hexyl-4-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-nitrobenzamide Traditional Name: N-hexyl-N-[1-[4-keto-3-(p-tolyl)quinazolin-2-yl]propyl]-4-methyl-3-nitro-benzamide Formula: C32H36N4O4 MolecularWeight: 540.65264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C(CC)C1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C)C(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCN(C(CC)C1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C)C(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C32H36N4O4/c1-5-7-8-11-20-34(31(37)24-17-16-23(4)29(21-24)36(39)40)28(6-2)30-33-27-13-10-9-12-26(27)32(38)35(30)25-18-14-22(3)15-19-25/h9-10,12-19,21,28H,5-8,11,20H2,1-4H3