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

Systemtic Name: methyl 3-[4-[2-oxidanylidene-3-[3-[2,2,2-tris(fluoranyl)ethanoyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]imidazolidin-1-yl]cyclohexyl]propanoate Openeye Name: methyl 3-[4-[2-oxo-3-[3-(2,2,2-trifluoroacetyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]imidazolidin-1-yl]cyclohexyl]propanoate CAS Name: 3-[4-[2-oxo-3-[3-(2,2,2-trifluoro-1-oxoethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1-imidazolidinyl]cyclohexyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-oxo-3-[3-(2,2,2-trifluoroacetyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]imidazolidin-1-yl]cyclohexyl]propanoate Traditional Name: 3-[4-[2-keto-3-[3-(2,2,2-trifluoroacetyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]imidazolidin-1-yl]cyclohexyl]propionic acid methyl ester Formula: C25H32F3N3O4 MolecularWeight: 495.53449

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1CCC(CC1)N2CCN(C2=O)C3=CC4=C(CCN(CC4)C(=O)C(F)(F)F)C=C3

Isomeric SMILES

COC(=O)CCC1CCC(CC1)N2CCN(C2=O)C3=CC4=C(CCN(CC4)C(=O)C(F)(F)F)C=C3

InChI

InChI=1S/C25H32F3N3O4/c1-35-22(32)9-4-17-2-6-20(7-3-17)30-14-15-31(24(30)34)21-8-5-18-10-12-29(13-11-19(18)16-21)23(33)25(26,27)28/h5,8,16-17,20H,2-4,6-7,9-15H2,1H3