N-[2-chloranyl-5-(trifluoromethyl)phenyl]-6-(4-oxidanylidenequinazolin-3-yl)hexanamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-6-(4-oxidanylidenequinazolin-3-yl)hexanamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-oxoquinazolin-3-yl)hexanamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-oxo-3-quinazolinyl)hexanamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-oxoquinazolin-3-yl)hexanamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-ketoquinazolin-3-yl)hexanamide Formula: C21H19ClF3N3O2 MolecularWeight: 437.84267

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CCCCCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CCCCCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C21H19ClF3N3O2/c22-16-10-9-14(21(23,24)25)12-18(16)27-19(29)8-2-1-5-11-28-13-26-17-7-4-3-6-15(17)20(28)30/h3-4,6-7,9-10,12-13H,1-2,5,8,11H2,(H,27,29)