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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCNC(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)OC(=O)N1CCNC(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H25N3O5/c1-12(2)26-18(23)21-6-5-19-14(10-21)8-17(22)20-9-13-3-4-15-16(7-13)25-11-24-15/h3-4,7,12,14,19H,5-6,8-11H2,1-2H3,(H,20,22)