N-(1,3-benzodioxol-5-yl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-cyanobenzyl)piperazino]acetamide Formula: C21H22N4O3 MolecularWeight: 378.42438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)CC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)CC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N4O3/c22-12-16-1-3-17(4-2-16)13-24-7-9-25(10-8-24)14-21(26)23-18-5-6-19-20(11-18)28-15-27-19/h1-6,11H,7-10,13-15H2,(H,23,26)