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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]heptan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]heptan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-heptanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]heptan-1-one Traditional Name: 1-(4-piperonylpiperazino)heptan-1-one Formula: C19H28N2O3 MolecularWeight: 332.43722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O3/c1-2-3-4-5-6-19(22)21-11-9-20(10-12-21)14-16-7-8-17-18(13-16)24-15-23-17/h7-8,13H,2-6,9-12,14-15H2,1H3