2-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-(2-methoxyphenyl)piperazino]ethanone Formula: C20H22BrF3N4O2 MolecularWeight: 487.31349

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CN3C(=C(C(=N3)C(F)(F)F)Br)C4CC4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CN3C(=C(C(=N3)C(F)(F)F)Br)C4CC4

InChI

InChI=1S/C20H22BrF3N4O2/c1-30-15-5-3-2-4-14(15)26-8-10-27(11-9-26)16(29)12-28-18(13-6-7-13)17(21)19(25-28)20(22,23)24/h2-5,13H,6-12H2,1H3