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

Systemtic Name: (phenylmethyl) 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 3-[2-keto-2-(piperonylamino)ethyl]piperazine-1-carboxylic acid benzyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O5/c26-21(24-12-17-6-7-19-20(10-17)30-15-29-19)11-18-13-25(9-8-23-18)22(27)28-14-16-4-2-1-3-5-16/h1-7,10,18,23H,8-9,11-15H2,(H,24,26)