[3,5-bis(trifluoromethyl)phenyl]-[4-[(1-methylpyrazol-4-yl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone hydrochloride

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[(1-methylpyrazol-4-yl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone hydrochloride Openeye Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[(1-methylpyrazol-4-yl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone hydrochloride CAS Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[(1-methyl-4-pyrazolyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]methanone hydrochloride IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[(1-methylpyrazol-4-yl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone hydrochloride Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-[4-[(1-methylpyrazol-4-yl)methyl]-2-[4-(trifluoromethyl)benzyl]piperazino]methanone hydrochloride Formula: C26H24ClF9N4O MolecularWeight: 614.933589

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2CCN(C(C2)CC3=CC=C(C=C3)C(F)(F)F)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.Cl

Isomeric SMILES

CN1C=C(C=N1)CN2CCN(C(C2)CC3=CC=C(C=C3)C(F)(F)F)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.Cl

InChI

InChI=1S/C26H23F9N4O.ClH/c1-37-13-17(12-36-37)14-38-6-7-39(22(15-38)8-16-2-4-19(5-3-16)24(27,28)29)23(40)18-9-20(25(30,31)32)11-21(10-18)26(33,34)35;/h2-5,9-13,22H,6-8,14-15H2,1H3;1H