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

Systemtic Name: ethyl 4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-keto-2-(piperonylamino)ethyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H23N3O5/c1-2-23-17(22)20-7-5-19(6-8-20)11-16(21)18-10-13-3-4-14-15(9-13)25-12-24-14/h3-4,9H,2,5-8,10-12H2,1H3,(H,18,21)