(4-dimethylaminophenyl)-[3-(3-methylbutyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

Systemtic Name: (4-dimethylaminophenyl)-[3-(3-methylbutyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Openeye Name: (4-dimethylaminophenyl)-[5-hydroxy-3-isopentyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone CAS Name: (4-dimethylaminophenyl)-[5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone IUPAC Name: (4-dimethylaminophenyl)-[5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Traditional Name: (4-dimethylaminophenyl)-[5-hydroxy-3-isoamyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]methanone Formula: C18H24F3N3O2 MolecularWeight: 371.39727

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC(C)CCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C18H24F3N3O2/c1-12(2)5-8-14-11-17(26,18(19,20)21)24(22-14)16(25)13-6-9-15(10-7-13)23(3)4/h6-7,9-10,12,26H,5,8,11H2,1-4H3