1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]azepan-2-one

Systemtic Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]azepan-2-one Openeye Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]azepan-2-one CAS Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-2-azepanone IUPAC Name: 1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]azepan-2-one Traditional Name: 1-[2-keto-2-(4-piperonylpiperazino)ethyl]azepan-2-one Formula: C20H27N3O4 MolecularWeight: 373.44608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(=O)N(CC1)CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H27N3O4/c24-19-4-2-1-3-7-23(19)14-20(25)22-10-8-21(9-11-22)13-16-5-6-17-18(12-16)27-15-26-17/h5-6,12H,1-4,7-11,13-15H2