5-[2-(4-propanoylphenoxy)ethanoyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: 5-[2-(4-propanoylphenoxy)ethanoyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: 5-[2-(4-propanoylphenoxy)acetyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: 5-[1-oxo-2-[4-(1-oxopropyl)phenoxy]ethyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: 5-[2-(4-propanoylphenoxy)acetyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: 5-[2-(4-propionylphenoxy)acetyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C21H19F3N2O4 MolecularWeight: 420.38177

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(=O)N2C(CC(=O)NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(=O)N2C(CC(=O)NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C21H19F3N2O4/c1-2-17(27)13-7-9-14(10-8-13)30-12-20(29)26-16-6-4-3-5-15(16)25-19(28)11-18(26)21(22,23)24/h3-10,18H,2,11-12H2,1H3,(H,25,28)