tert-butyl 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylpiperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]piperidine-1-carboxylate CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]piperidine-1-carboxylate Traditional Name: 3-(4-piperonylpiperazine-1-carbonyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C23H33N3O5 MolecularWeight: 431.52522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H33N3O5/c1-23(2,3)31-22(28)26-8-4-5-18(15-26)21(27)25-11-9-24(10-12-25)14-17-6-7-19-20(13-17)30-16-29-19/h6-7,13,18H,4-5,8-12,14-16H2,1-3H3