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

Systemtic Name: tert-butyl N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxo-propyl]carbamate CAS Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]carbamate Traditional Name: N-[3-keto-3-(4-piperonylpiperazino)propyl]carbamic acid tert-butyl ester Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O5/c1-20(2,3)28-19(25)21-7-6-18(24)23-10-8-22(9-11-23)13-15-4-5-16-17(12-15)27-14-26-16/h4-5,12H,6-11,13-14H2,1-3H3,(H,21,25)