N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[4-(3-pyridylmethyl)piperazin-2-yl]acetamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[4-(3-pyridinylmethyl)-2-piperazinyl]acetamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[4-(pyridin-3-ylmethyl)piperazin-2-yl]acetamide Traditional Name: N-homopiperonyl-2-[4-(3-pyridylmethyl)piperazin-2-yl]acetamide Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CC(=O)NCCC2=CC3=C(C=C2)OCO3)CC4=CN=CC=C4

Isomeric SMILES

C1CN(CC(N1)CC(=O)NCCC2=CC3=C(C=C2)OCO3)CC4=CN=CC=C4

InChI

InChI=1S/C21H26N4O3/c26-21(24-7-5-16-3-4-19-20(10-16)28-15-27-19)11-18-14-25(9-8-23-18)13-17-2-1-6-22-12-17/h1-4,6,10,12,18,23H,5,7-9,11,13-15H2,(H,24,26)