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

Systemtic Name: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(1,3-benzodioxol-5-ylcarbamoyl)ethanamide Openeye Name: 2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide CAS Name: 2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]acetamide IUPAC Name: 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-N-(1,3-benzodioxol-5-ylcarbamoyl)acetamide Formula: C22H31N5O5 MolecularWeight: 445.51204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O5/c28-20(24-22(30)23-17-5-6-18-19(13-17)32-16-31-18)14-25-9-11-26(12-10-25)15-21(29)27-7-3-1-2-4-8-27/h5-6,13H,1-4,7-12,14-16H2,(H2,23,24,28,30)