(phenylmethyl) 2-[3-methyl-2-oxidanylidene-6-(trifluoromethyl)-5H-1-benzazepin-1-yl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[3-methyl-2-oxidanylidene-6-(trifluoromethyl)-5H-1-benzazepin-1-yl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[3-methyl-2-oxo-6-(trifluoromethyl)-5H-1-benzazepin-1-yl]pyrrolidine-1-carboxylate CAS Name: 2-[3-methyl-2-oxo-6-(trifluoromethyl)-5H-1-benzazepin-1-yl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-methyl-2-oxo-6-(trifluoromethyl)-5H-1-benzazepin-1-yl]pyrrolidine-1-carboxylate Traditional Name: 2-[2-keto-3-methyl-6-(trifluoromethyl)-5H-1-benzazepin-1-yl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C24H23F3N2O3 MolecularWeight: 444.44623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2=C(C=CC=C2N(C1=O)C3CCCN3C(=O)OCC4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

CC1=CCC2=C(C=CC=C2N(C1=O)C3CCCN3C(=O)OCC4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C24H23F3N2O3/c1-16-12-13-18-19(24(25,26)27)9-5-10-20(18)29(22(16)30)21-11-6-14-28(21)23(31)32-15-17-7-3-2-4-8-17/h2-5,7-10,12,21H,6,11,13-15H2,1H3