[3,5-bis(trifluoromethyl)phenyl]-[4-[1-(4-tert-butyl-1,3-thiazol-2-yl)-5-propyl-pyrazol-4-yl]carbonyl-2-methyl-piperazin-1-yl]methanone

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[1-(4-tert-butyl-1,3-thiazol-2-yl)-5-propyl-pyrazol-4-yl]carbonyl-2-methyl-piperazin-1-yl]methanone Openeye Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[1-(4-tert-butylthiazol-2-yl)-5-propyl-pyrazole-4-carbonyl]-2-methyl-piperazin-1-yl]methanone CAS Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[[1-(4-tert-butyl-2-thiazolyl)-5-propyl-4-pyrazolyl]-oxomethyl]-2-methyl-1-piperazinyl]methanone IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[1-(4-tert-butyl-1,3-thiazol-2-yl)-5-propylpyrazole-4-carbonyl]-2-methylpiperazin-1-yl]methanone Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[1-(4-tert-butylthiazol-2-yl)-5-propyl-pyrazole-4-carbonyl]-2-methyl-piperazino]methanone Formula: C28H31F6N5O2S MolecularWeight: 615.633459

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=NC(=CS2)C(C)(C)C)C(=O)N3CCN(C(C3)C)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCCC1=C(C=NN1C2=NC(=CS2)C(C)(C)C)C(=O)N3CCN(C(C3)C)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C28H31F6N5O2S/c1-6-7-21-20(13-35-39(21)25-36-22(15-42-25)26(3,4)5)24(41)37-8-9-38(16(2)14-37)23(40)17-10-18(27(29,30)31)12-19(11-17)28(32,33)34/h10-13,15-16H,6-9,14H2,1-5H3