[4-[5-(3-methyl-3-oxidanyl-but-1-ynyl)pyrimidin-2-yl]-2-(trifluoromethyl)phenyl]-piperazin-1-yl-methanone

Systemtic Name: [4-[5-(3-methyl-3-oxidanyl-but-1-ynyl)pyrimidin-2-yl]-2-(trifluoromethyl)phenyl]-piperazin-1-yl-methanone Openeye Name: [4-[5-(3-hydroxy-3-methyl-but-1-ynyl)pyrimidin-2-yl]-2-(trifluoromethyl)phenyl]-piperazin-1-yl-methanone CAS Name: [4-[5-(3-hydroxy-3-methylbut-1-ynyl)-2-pyrimidinyl]-2-(trifluoromethyl)phenyl]-(1-piperazinyl)methanone IUPAC Name: [4-[5-(3-hydroxy-3-methylbut-1-ynyl)pyrimidin-2-yl]-2-(trifluoromethyl)phenyl]-piperazin-1-ylmethanone Traditional Name: [4-[5-(3-hydroxy-3-methyl-but-1-ynyl)pyrimidin-2-yl]-2-(trifluoromethyl)phenyl]-piperazino-methanone Formula: C21H21F3N4O2 MolecularWeight: 418.41225

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)N3CCNCC3)C(F)(F)F)O

Isomeric SMILES

CC(C)(C#CC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)N3CCNCC3)C(F)(F)F)O

InChI

InChI=1S/C21H21F3N4O2/c1-20(2,30)6-5-14-12-26-18(27-13-14)15-3-4-16(17(11-15)21(22,23)24)19(29)28-9-7-25-8-10-28/h3-4,11-13,25,30H,7-10H2,1-2H3