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

Systemtic Name: 2-[4-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[4-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxo-ethyl]piperazin-1-yl]-N-benzyl-acetamide CAS Name: 2-[4-[2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-oxoethyl]-1-piperazinyl]-N-(phenylmethyl)acetamide IUPAC Name: 2-[4-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]-N-benzylacetamide Traditional Name: 2-[4-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-keto-ethyl]piperazino]-N-benzyl-acetamide Formula: C23H27N5O5 MolecularWeight: 453.49098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NCC2=CC=CC=C2)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1CC(=O)NCC2=CC=CC=C2)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H27N5O5/c29-21(24-13-17-4-2-1-3-5-17)14-27-8-10-28(11-9-27)15-22(30)26-23(31)25-18-6-7-19-20(12-18)33-16-32-19/h1-7,12H,8-11,13-16H2,(H,24,29)(H2,25,26,30,31)