N-[4-cyano-3-(trifluoromethyl)phenyl]-9-methyl-3-oxidanylidene-4,5-dihydro-1,4-benzoxazepine-5-carboxamide

Systemtic Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-9-methyl-3-oxidanylidene-4,5-dihydro-1,4-benzoxazepine-5-carboxamide Openeye Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-9-methyl-3-oxo-4,5-dihydro-1,4-benzoxazepine-5-carboxamide CAS Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-9-methyl-3-oxo-4,5-dihydro-1,4-benzoxazepine-5-carboxamide IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-9-methyl-3-oxo-4,5-dihydro-1,4-benzoxazepine-5-carboxamide Traditional Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-3-keto-9-methyl-4,5-dihydro-1,4-benzoxazepine-5-carboxamide Formula: C19H14F3N3O3 MolecularWeight: 389.32797

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OCC(=O)NC2C(=O)NC3=CC(=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

CC1=CC=CC2=C1OCC(=O)NC2C(=O)NC3=CC(=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C19H14F3N3O3/c1-10-3-2-4-13-16(25-15(26)9-28-17(10)13)18(27)24-12-6-5-11(8-23)14(7-12)19(20,21)22/h2-7,16H,9H2,1H3,(H,24,27)(H,25,26)