methyl 3-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCNC(C1)CC(=O)NCCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)N1CCNC(C1)CC(=O)NCCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H23N3O5/c1-23-17(22)20-7-6-18-13(10-20)9-16(21)19-5-4-12-2-3-14-15(8-12)25-11-24-14/h2-3,8,13,18H,4-7,9-11H2,1H3,(H,19,21)