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

Systemtic Name: ethyl 4-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]piperazine-1-carboxylate Traditional Name: 4-[2-keto-1-methyl-2-(piperonylamino)ethyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O5/c1-3-24-18(23)21-8-6-20(7-9-21)13(2)17(22)19-11-14-4-5-15-16(10-14)26-12-25-15/h4-5,10,13H,3,6-9,11-12H2,1-2H3,(H,19,22)