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

Systemtic Name: N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-3-fluoranyl-benzamide Openeye Name: N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]propyl]-3-fluoro-benzamide CAS Name: N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]propyl]-3-fluorobenzamide IUPAC Name: N-butyl-N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-fluorobenzamide Traditional Name: N-butyl-N-[1-[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]propyl]-3-fluoro-benzamide Formula: C28H27ClFN3O2 MolecularWeight: 491.984283

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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(=CC=C4)F

Isomeric SMILES

CCCCN(C(CC)C1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)Cl)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C28H27ClFN3O2/c1-3-5-16-32(27(34)19-10-8-12-21(30)17-19)25(4-2)26-31-24-15-7-6-14-23(24)28(35)33(26)22-13-9-11-20(29)18-22/h6-15,17-18,25H,3-5,16H2,1-2H3