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

Systemtic Name: (3S)-1-but-2-ynoyl-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide Openeye Name: (3S)-1-but-2-ynoyl-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide CAS Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1-oxobut-2-ynyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-but-2-ynoyl-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide Traditional Name: (3S)-1-but-2-ynoyl-N-[4-(3-methoxyphenyl)phenyl]nipecotamide Formula: C23H24N2O3 MolecularWeight: 376.44826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O3/c1-3-6-22(26)25-14-5-8-19(16-25)23(27)24-20-12-10-17(11-13-20)18-7-4-9-21(15-18)28-2/h4,7,9-13,15,19H,5,8,14,16H2,1-2H3,(H,24,27)/t19-/m0/s1