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

Systemtic Name: 2-chloranyl-N-hexyl-N-[1-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-hexyl-4-nitro-N-[1-[4-oxo-3-(p-tolyl)quinazolin-2-yl]propyl]benzamide CAS Name: 2-chloro-N-hexyl-N-[1-[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]propyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-hexyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-hexyl-N-[1-[4-keto-3-(p-tolyl)quinazolin-2-yl]propyl]-4-nitro-benzamide Formula: C31H33ClN4O4 MolecularWeight: 561.07112

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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=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C31H33ClN4O4/c1-4-6-7-10-19-34(30(37)24-18-17-23(36(39)40)20-26(24)32)28(5-2)29-33-27-12-9-8-11-25(27)31(38)35(29)22-15-13-21(3)14-16-22/h8-9,11-18,20,28H,4-7,10,19H2,1-3H3