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

Systemtic Name: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(1,3-benzodioxol-5-ylmethyl)ethanamide Openeye Name: 2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide CAS Name: 2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide IUPAC Name: 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-N-piperonyl-acetamide Formula: C22H32N4O4 MolecularWeight: 416.51388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H32N4O4/c27-21(23-14-18-5-6-19-20(13-18)30-17-29-19)15-24-9-11-25(12-10-24)16-22(28)26-7-3-1-2-4-8-26/h5-6,13H,1-4,7-12,14-17H2,(H,23,27)