N,N-diethyl-1-[[3-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidine-3-carboxamide

Systemtic Name: N,N-diethyl-1-[[3-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidine-3-carboxamide Openeye Name: N,N-diethyl-1-[[3-[4-(1-piperidyl)but-1-ynyl]phenyl]methyl]piperidine-3-carboxamide CAS Name: N,N-diethyl-1-[[3-[4-(1-piperidinyl)but-1-ynyl]phenyl]methyl]-3-piperidinecarboxamide IUPAC Name: N,N-diethyl-1-[[3-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidine-3-carboxamide Traditional Name: N,N-diethyl-1-[3-(4-piperidinobut-1-ynyl)benzyl]nipecotamide Formula: C26H39N3O MolecularWeight: 409.60736

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)CC2=CC=CC(=C2)C#CCCN3CCCCC3

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)CC2=CC=CC(=C2)C#CCCN3CCCCC3

InChI

InChI=1S/C26H39N3O/c1-3-29(4-2)26(30)25-15-11-19-28(22-25)21-24-14-10-13-23(20-24)12-6-9-18-27-16-7-5-8-17-27/h10,13-14,20,25H,3-5,7-9,11,15-19,21-22H2,1-2H3