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

Systemtic Name: N-hexyl-N-[1-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-3-nitro-benzamide Openeye Name: N-hexyl-3-nitro-N-[1-[4-oxo-3-(p-tolyl)quinazolin-2-yl]propyl]benzamide CAS Name: N-hexyl-N-[1-[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]propyl]-3-nitrobenzamide IUPAC Name: N-hexyl-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]-3-nitro-benzamide Formula: C31H34N4O4 MolecularWeight: 526.62606

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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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C31H34N4O4/c1-4-6-7-10-20-33(30(36)23-12-11-13-25(21-23)35(38)39)28(5-2)29-32-27-15-9-8-14-26(27)31(37)34(29)24-18-16-22(3)17-19-24/h8-9,11-19,21,28H,4-7,10,20H2,1-3H3