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

Systemtic Name: N-[4-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[4-(4-chlorobenzoyl)piperazino]phenyl]-piperonylamide Formula: C25H22ClN3O4 MolecularWeight: 463.91288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H22ClN3O4/c26-19-4-1-17(2-5-19)25(31)29-13-11-28(12-14-29)21-8-6-20(7-9-21)27-24(30)18-3-10-22-23(15-18)33-16-32-22/h1-10,15H,11-14,16H2,(H,27,30)