1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(cyclooctylamino)ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(cyclooctylamino)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(cyclooctylamino)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(cyclooctylamino)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(cyclooctylamino)ethanone Traditional Name: 2-(cyclooctylamino)-1-(4-piperonylpiperazino)ethanone Formula: C22H33N3O3 MolecularWeight: 387.51572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCC(CCC1)NCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H33N3O3/c26-22(15-23-19-6-4-2-1-3-5-7-19)25-12-10-24(11-13-25)16-18-8-9-20-21(14-18)28-17-27-20/h8-9,14,19,23H,1-7,10-13,15-17H2