N-(1,3-benzodioxol-5-yl)-4-[4-oxidanylidene-2-(trifluoromethyl)quinazolin-3-yl]butanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-[4-oxidanylidene-2-(trifluoromethyl)quinazolin-3-yl]butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-[4-oxo-2-(trifluoromethyl)quinazolin-3-yl]butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[4-oxo-2-(trifluoromethyl)-3-quinazolinyl]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-[4-oxo-2-(trifluoromethyl)quinazolin-3-yl]butanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-[4-keto-2-(trifluoromethyl)quinazolin-3-yl]butyramide Formula: C20H16F3N3O4 MolecularWeight: 419.35395

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CCCN3C(=O)C4=CC=CC=C4N=C3C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CCCN3C(=O)C4=CC=CC=C4N=C3C(F)(F)F

InChI

InChI=1S/C20H16F3N3O4/c21-20(22,23)19-25-14-5-2-1-4-13(14)18(28)26(19)9-3-6-17(27)24-12-7-8-15-16(10-12)30-11-29-15/h1-2,4-5,7-8,10H,3,6,9,11H2,(H,24,27)