dimethyl 5-[2-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H19BrF3N3O5 MolecularWeight: 518.28117

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC)N2C(=C(C(=N2)C(F)(F)F)Br)C3CC3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC)N2C(=C(C(=N2)C(F)(F)F)Br)C3CC3

InChI

InChI=1S/C20H19BrF3N3O5/c1-9(27-15(10-4-5-10)14(21)16(26-27)20(22,23)24)17(28)25-13-7-11(18(29)31-2)6-12(8-13)19(30)32-3/h6-10H,4-5H2,1-3H3,(H,25,28)