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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]dodecan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]dodecan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-dodecanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]dodecan-1-one Traditional Name: 1-(4-piperonylpiperazino)dodecan-1-one Formula: C24H38N2O3 MolecularWeight: 402.57012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCCCCCCCCC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C24H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-24(27)26-16-14-25(15-17-26)19-21-12-13-22-23(18-21)29-20-28-22/h12-13,18H,2-11,14-17,19-20H2,1H3