N-[3-(3-methylphenyl)phenyl]-1-[[5-(3-oxidanylprop-1-ynyl)thiophen-2-yl]methyl]piperidine-3-carboxamide

Systemtic Name: N-[3-(3-methylphenyl)phenyl]-1-[[5-(3-oxidanylprop-1-ynyl)thiophen-2-yl]methyl]piperidine-3-carboxamide Openeye Name: 1-[[5-(3-hydroxyprop-1-ynyl)-2-thienyl]methyl]-N-[3-(m-tolyl)phenyl]piperidine-3-carboxamide CAS Name: 1-[[5-(3-hydroxyprop-1-ynyl)-2-thiophenyl]methyl]-N-[3-(3-methylphenyl)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide Traditional Name: 1-[[5-(3-hydroxyprop-1-ynyl)-2-thienyl]methyl]-N-[3-(m-tolyl)phenyl]nipecotamide Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC(=CC=C2)NC(=O)C3CCCN(C3)CC4=CC=C(S4)C#CCO

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(=CC=C2)NC(=O)C3CCCN(C3)CC4=CC=C(S4)C#CCO

InChI

InChI=1S/C27H28N2O2S/c1-20-6-2-7-21(16-20)22-8-3-10-24(17-22)28-27(31)23-9-4-14-29(18-23)19-26-13-12-25(32-26)11-5-15-30/h2-3,6-8,10,12-13,16-17,23,30H,4,9,14-15,18-19H2,1H3,(H,28,31)