1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-chloranyl-butan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-chloranyl-butan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-chloro-butan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-chloro-1-butanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-chlorobutan-1-one Traditional Name: 4-chloro-1-(4-piperonylpiperazino)butan-1-one Formula: C16H21ClN2O3 MolecularWeight: 324.80254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCCl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCCl

InChI

InChI=1S/C16H21ClN2O3/c17-5-1-2-16(20)19-8-6-18(7-9-19)11-13-3-4-14-15(10-13)22-12-21-14/h3-4,10H,1-2,5-9,11-12H2