(3S)-N-[4-bromanyl-3-(trifluoromethyl)phenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[4-bromanyl-3-(trifluoromethyl)phenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide Openeye Name: (3S)-N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide CAS Name: (3S)-N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(2-methyl-1-oxopropyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide Traditional Name: (3S)-N-[4-bromo-3-(trifluoromethyl)phenyl]-1-isobutyryl-nipecotamide Formula: C17H20BrF3N2O2 MolecularWeight: 421.25211

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCCC(C1)C(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F

Isomeric SMILES

CC(C)C(=O)N1CCC[C@@H](C1)C(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F

InChI

InChI=1S/C17H20BrF3N2O2/c1-10(2)16(25)23-7-3-4-11(9-23)15(24)22-12-5-6-14(18)13(8-12)17(19,20)21/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,22,24)/t11-/m0/s1