ethyl 4-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-(1,3-benzodioxol-5-ylcarbamoylamino)-2-keto-ethyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H22N4O6 MolecularWeight: 378.37978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H22N4O6/c1-2-25-17(24)21-7-5-20(6-8-21)10-15(22)19-16(23)18-12-3-4-13-14(9-12)27-11-26-13/h3-4,9H,2,5-8,10-11H2,1H3,(H2,18,19,22,23)