tert-butyl N-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-oxidanylidene-hexyl]carbamate

Systemtic Name: tert-butyl N-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-oxidanylidene-hexyl]carbamate Openeye Name: tert-butyl N-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-oxo-hexyl]carbamate CAS Name: N-[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-oxohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-oxohexyl]carbamate Traditional Name: N-[6-keto-6-(4-piperonylpiperazino)hexyl]carbamic acid tert-butyl ester Formula: C23H35N3O5 MolecularWeight: 433.5411

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C23H35N3O5/c1-23(2,3)31-22(28)24-10-6-4-5-7-21(27)26-13-11-25(12-14-26)16-18-8-9-19-20(15-18)30-17-29-19/h8-9,15H,4-7,10-14,16-17H2,1-3H3,(H,24,28)