(3S)-1-but-2-ynoyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-but-2-ynoyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide Openeye Name: (3S)-1-but-2-ynoyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide CAS Name: (3S)-N-[3-(4-fluorophenyl)phenyl]-1-(1-oxobut-2-ynyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-but-2-ynoyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide Traditional Name: (3S)-1-but-2-ynoyl-N-[3-(4-fluorophenyl)phenyl]nipecotamide Formula: C22H21FN2O2 MolecularWeight: 364.412743

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)N1CCCC(C1)C(=O)NC2=CC=CC(=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CC#CC(=O)N1CCC[C@@H](C1)C(=O)NC2=CC=CC(=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H21FN2O2/c1-2-5-21(26)25-13-4-7-18(15-25)22(27)24-20-8-3-6-17(14-20)16-9-11-19(23)12-10-16/h3,6,8-12,14,18H,4,7,13,15H2,1H3,(H,24,27)/t18-/m0/s1