2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(5-chloranylpyridin-2-yl)propanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(5-chloranylpyridin-2-yl)propanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(5-chloro-2-pyridyl)propanamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(5-chloro-2-pyridinyl)propanamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(5-chloropyridin-2-yl)propanamide Traditional Name: N-(5-chloro-2-pyridyl)-2-(4-piperonylpiperazino)propionamide Formula: C20H23ClN4O3 MolecularWeight: 402.87462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)Cl)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C(=O)NC1=NC=C(C=C1)Cl)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23ClN4O3/c1-14(20(26)23-19-5-3-16(21)11-22-19)25-8-6-24(7-9-25)12-15-2-4-17-18(10-15)28-13-27-17/h2-5,10-11,14H,6-9,12-13H2,1H3,(H,22,23,26)