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

Systemtic Name: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)ethanamide Openeye Name: 2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: 2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-N-(1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H30N4O4/c26-20(22-17-5-6-18-19(13-17)29-16-28-18)14-23-9-11-24(12-10-23)15-21(27)25-7-3-1-2-4-8-25/h5-6,13H,1-4,7-12,14-16H2,(H,22,26)