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

Systemtic Name: methyl 3-[4-[3-methyl-5-oxidanylidene-1-[3-[2,2,2-tris(fluoranyl)ethanoyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1,2,4-triazol-4-yl]cyclohexyl]propanoate Openeye Name: methyl 3-[4-[3-methyl-5-oxo-1-[3-(2,2,2-trifluoroacetyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1,2,4-triazol-4-yl]cyclohexyl]propanoate CAS Name: 3-[4-[3-methyl-5-oxo-1-[3-(2,2,2-trifluoro-1-oxoethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1,2,4-triazol-4-yl]cyclohexyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-methyl-5-oxo-1-[3-(2,2,2-trifluoroacetyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1,2,4-triazol-4-yl]cyclohexyl]propanoate Traditional Name: 3-[4-[5-keto-3-methyl-1-[3-(2,2,2-trifluoroacetyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1,2,4-triazol-4-yl]cyclohexyl]propionic acid methyl ester Formula: C25H31F3N4O4 MolecularWeight: 508.53325

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C2CCC(CC2)CCC(=O)OC)C3=CC4=C(CCN(CC4)C(=O)C(F)(F)F)C=C3

Isomeric SMILES

CC1=NN(C(=O)N1C2CCC(CC2)CCC(=O)OC)C3=CC4=C(CCN(CC4)C(=O)C(F)(F)F)C=C3

InChI

InChI=1S/C25H31F3N4O4/c1-16-29-32(24(35)31(16)20-7-3-17(4-8-20)5-10-22(33)36-2)21-9-6-18-11-13-30(14-12-19(18)15-21)23(34)25(26,27)28/h6,9,15,17,20H,3-5,7-8,10-14H2,1-2H3