methyl 4-[2-[2-oxidanylidene-3-[3-[2,2,2-tris(fluoranyl)ethanoyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]imidazolidin-1-yl]ethyl]benzoate

Systemtic Name: methyl 4-[2-[2-oxidanylidene-3-[3-[2,2,2-tris(fluoranyl)ethanoyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]imidazolidin-1-yl]ethyl]benzoate Openeye Name: methyl 4-[2-[2-oxo-3-[3-(2,2,2-trifluoroacetyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]imidazolidin-1-yl]ethyl]benzoate CAS Name: 4-[2-[2-oxo-3-[3-(2,2,2-trifluoro-1-oxoethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1-imidazolidinyl]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[2-oxo-3-[3-(2,2,2-trifluoroacetyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]imidazolidin-1-yl]ethyl]benzoate Traditional Name: 4-[2-[2-keto-3-[3-(2,2,2-trifluoroacetyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]imidazolidin-1-yl]ethyl]benzoic acid methyl ester Formula: C25H26F3N3O4 MolecularWeight: 489.48685

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCN2CCN(C2=O)C3=CC4=C(CCN(CC4)C(=O)C(F)(F)F)C=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCN2CCN(C2=O)C3=CC4=C(CCN(CC4)C(=O)C(F)(F)F)C=C3

InChI

InChI=1S/C25H26F3N3O4/c1-35-22(32)19-4-2-17(3-5-19)8-11-30-14-15-31(24(30)34)21-7-6-18-9-12-29(13-10-20(18)16-21)23(33)25(26,27)28/h2-7,16H,8-15H2,1H3