N-[1-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-N-ethyl-octanamide

Systemtic Name: N-[1-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-N-ethyl-octanamide Openeye Name: N-[1-[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]propyl]-N-ethyl-octanamide CAS Name: N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxo-2-quinazolinyl]propyl]-N-ethyloctanamide IUPAC Name: N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethyloctanamide Traditional Name: N-[1-[3-(3-chloro-4-fluoro-phenyl)-4-keto-quinazolin-2-yl]propyl]-N-ethyl-caprylamide Formula: C27H33ClFN3O2 MolecularWeight: 486.021223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N(CC)C(CC)C1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCCCCCCC(=O)N(CC)C(CC)C1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C27H33ClFN3O2/c1-4-7-8-9-10-15-25(33)31(6-3)24(5-2)26-30-23-14-12-11-13-20(23)27(34)32(26)19-16-17-22(29)21(28)18-19/h11-14,16-18,24H,4-10,15H2,1-3H3