7,8-dimethoxy-4-phenyl-3-(trifluoromethylsulfonyl)-2,4-dihydro-1H-3-benzazepin-5-one

Systemtic Name: 7,8-dimethoxy-4-phenyl-3-(trifluoromethylsulfonyl)-2,4-dihydro-1H-3-benzazepin-5-one Openeye Name: 7,8-dimethoxy-4-phenyl-3-(trifluoromethylsulfonyl)-2,4-dihydro-1H-3-benzazepin-5-one CAS Name: 7,8-dimethoxy-4-phenyl-3-(trifluoromethylsulfonyl)-2,4-dihydro-1H-3-benzazepin-5-one IUPAC Name: 7,8-dimethoxy-4-phenyl-3-(trifluoromethylsulfonyl)-2,4-dihydro-1H-3-benzazepin-5-one Traditional Name: 7,8-dimethoxy-4-phenyl-3-triflyl-2,4-dihydro-1H-3-benzazepin-5-one Formula: C19H18F3NO5S MolecularWeight: 429.41013

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN(C(C2=O)C3=CC=CC=C3)S(=O)(=O)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN(C(C2=O)C3=CC=CC=C3)S(=O)(=O)C(F)(F)F)OC

InChI

InChI=1S/C19H18F3NO5S/c1-27-15-10-13-8-9-23(29(25,26)19(20,21)22)17(12-6-4-3-5-7-12)18(24)14(13)11-16(15)28-2/h3-7,10-11,17H,8-9H2,1-2H3