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]phenyl]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]phenyl]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]phenyl]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]phenyl]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]phenyl]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]phenyl]propionic acid methyl ester Formula: C25H25F3N4O4 MolecularWeight: 502.48561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C2=CC=C(C=C2)CCC(=O)OC)C3=CC4=C(CCN(CC4)C(=O)C(F)(F)F)C=C3

Isomeric SMILES

CC1=NN(C(=O)N1C2=CC=C(C=C2)CCC(=O)OC)C3=CC4=C(CCN(CC4)C(=O)C(F)(F)F)C=C3

InChI

InChI=1S/C25H25F3N4O4/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/h3-4,6-9,15H,5,10-14H2,1-2H3