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

Systemtic Name: N-[3-oxidanylidene-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepin-7-yl]-2-phenyl-butanamide Openeye Name: N-[3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepin-7-yl]-2-phenyl-butanamide CAS Name: N-[3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepin-7-yl]-2-phenylbutanamide IUPAC Name: N-[3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepin-7-yl]-2-phenylbutanamide Traditional Name: N-[3-keto-4-[3-(trifluoromethyl)benzyl]-5H-1,4-benzoxazepin-7-yl]-2-phenyl-butyramide Formula: C27H25F3N2O3 MolecularWeight: 482.49421

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)OCC(=O)N(C3)CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)OCC(=O)N(C3)CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C27H25F3N2O3/c1-2-23(19-8-4-3-5-9-19)26(34)31-22-11-12-24-20(14-22)16-32(25(33)17-35-24)15-18-7-6-10-21(13-18)27(28,29)30/h3-14,23H,2,15-17H2,1H3,(H,31,34)