1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2,2-dimethyl-butan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2,2-dimethyl-butan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2,2-dimethyl-butan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2,2-dimethyl-1-butanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2,2-dimethylbutan-1-one Traditional Name: 2,2-dimethyl-1-(4-piperonylpiperazino)butan-1-one Formula: C18H26N2O3 MolecularWeight: 318.41064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3/c1-4-18(2,3)17(21)20-9-7-19(8-10-20)12-14-5-6-15-16(11-14)23-13-22-15/h5-6,11H,4,7-10,12-13H2,1-3H3