N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[4-(2-chlorobenzyl)piperazino]phenyl]-piperonylamide Formula: C25H24ClN3O3 MolecularWeight: 449.92936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2Cl)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2Cl)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H24ClN3O3/c26-22-4-2-1-3-19(22)16-28-11-13-29(14-12-28)21-8-6-20(7-9-21)27-25(30)18-5-10-23-24(15-18)32-17-31-23/h1-10,15H,11-14,16-17H2,(H,27,30)