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

Systemtic Name: N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-4-nitro-benzamide Openeye Name: N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]propyl]-4-nitro-benzamide CAS Name: N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]propyl]-4-nitrobenzamide IUPAC Name: N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-4-nitrobenzamide Traditional Name: N-butyl-N-[1-[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]propyl]-4-nitro-benzamide Formula: C28H27ClN4O4 MolecularWeight: 518.99138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27ClN4O4/c1-3-5-17-31(27(34)19-13-15-21(16-14-19)33(36)37)25(4-2)26-30-24-12-7-6-11-23(24)28(35)32(26)22-10-8-9-20(29)18-22/h6-16,18,25H,3-5,17H2,1-2H3