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

Systemtic Name: (3S)-1-but-2-ynoyl-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide Openeye Name: (3S)-1-but-2-ynoyl-N-[3-(m-tolyl)phenyl]piperidine-3-carboxamide CAS Name: (3S)-N-[3-(3-methylphenyl)phenyl]-1-(1-oxobut-2-ynyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-but-2-ynoyl-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide Traditional Name: (3S)-1-but-2-ynoyl-N-[3-(m-tolyl)phenyl]nipecotamide Formula: C23H24N2O2 MolecularWeight: 360.44886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O2/c1-3-7-22(26)25-13-6-11-20(16-25)23(27)24-21-12-5-10-19(15-21)18-9-4-8-17(2)14-18/h4-5,8-10,12,14-15,20H,6,11,13,16H2,1-2H3,(H,24,27)/t20-/m0/s1