N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)butanamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)butanamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-methyl-4-oxo-quinazolin-3-yl)butanamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-methyl-4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-keto-2-methyl-quinazolin-3-yl)butyramide Formula: C21H17F6N3O2 MolecularWeight: 457.368999

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1CCCC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1CCCC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H17F6N3O2/c1-12-28-17-6-3-2-5-16(17)19(32)30(12)8-4-7-18(31)29-15-10-13(20(22,23)24)9-14(11-15)21(25,26)27/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,29,31)