2-[4-[(4-acetamidophenyl)methyl]piperazin-1-yl]ethyl N-(1,3-benzodioxol-5-ylmethyl)carbamate

Systemtic Name: 2-[4-[(4-acetamidophenyl)methyl]piperazin-1-yl]ethyl N-(1,3-benzodioxol-5-ylmethyl)carbamate Openeye Name: 2-[4-[(4-acetamidophenyl)methyl]piperazin-1-yl]ethyl N-(1,3-benzodioxol-5-ylmethyl)carbamate CAS Name: N-(1,3-benzodioxol-5-ylmethyl)carbamic acid 2-[4-[(4-acetamidophenyl)methyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[(4-acetamidophenyl)methyl]piperazin-1-yl]ethyl N-(1,3-benzodioxol-5-ylmethyl)carbamate Traditional Name: N-piperonylcarbamic acid 2-[4-(4-acetamidobenzyl)piperazino]ethyl ester Formula: C24H30N4O5 MolecularWeight: 454.5188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCN(CC2)CCOC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCN(CC2)CCOC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H30N4O5/c1-18(29)26-21-5-2-19(3-6-21)16-28-10-8-27(9-11-28)12-13-31-24(30)25-15-20-4-7-22-23(14-20)33-17-32-22/h2-7,14H,8-13,15-17H2,1H3,(H,25,30)(H,26,29)