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

Systemtic Name: methyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 3-[2-keto-2-(piperonylamino)ethyl]piperazine-1-carboxylic acid methyl ester Formula: C16H21N3O5 MolecularWeight: 335.35504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O5/c1-22-16(21)19-5-4-17-12(9-19)7-15(20)18-8-11-2-3-13-14(6-11)24-10-23-13/h2-3,6,12,17H,4-5,7-10H2,1H3,(H,18,20)