[1-[[3-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidin-3-yl] N,N-diethylcarbamate

Systemtic Name: [1-[[3-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidin-3-yl] N,N-diethylcarbamate Openeye Name: [1-[[3-[4-(1-piperidyl)but-1-ynyl]phenyl]methyl]-3-piperidyl] N,N-diethylcarbamate CAS Name: N,N-diethylcarbamic acid [1-[[3-[4-(1-piperidinyl)but-1-ynyl]phenyl]methyl]-3-piperidinyl] ester IUPAC Name: [1-[[3-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidin-3-yl] N,N-diethylcarbamate Traditional Name: N,N-diethylcarbamic acid [1-[3-(4-piperidinobut-1-ynyl)benzyl]-3-piperidyl] ester Formula: C26H39N3O2 MolecularWeight: 425.60676

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)OC1CCCN(C1)CC2=CC=CC(=C2)C#CCCN3CCCCC3

Isomeric SMILES

CCN(CC)C(=O)OC1CCCN(C1)CC2=CC=CC(=C2)C#CCCN3CCCCC3

InChI

InChI=1S/C26H39N3O2/c1-3-29(4-2)26(30)31-25-15-11-19-28(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