4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-butanamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-butanamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxo-butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxobutanamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-oxobutanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-N-[4-methyl-3-(trifluoromethyl)phenyl]butyramide Formula: C21H20F3NO4 MolecularWeight: 407.38301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3)C(F)(F)F

InChI

InChI=1S/C21H20F3NO4/c1-13-3-5-15(12-16(13)21(22,23)24)25-20(27)8-6-17(26)14-4-7-18-19(11-14)29-10-2-9-28-18/h3-5,7,11-12H,2,6,8-10H2,1H3,(H,25,27)