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

Systemtic Name: N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[[4-(2-pyridinyl)-1-piperazinyl]methyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[[4-(2-pyridyl)piperazino]methyl]phenyl]-piperonylamide Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=N5

InChI

InChI=1S/C24H24N4O3/c29-24(19-6-9-21-22(15-19)31-17-30-21)26-20-7-4-18(5-8-20)16-27-11-13-28(14-12-27)23-3-1-2-10-25-23/h1-10,15H,11-14,16-17H2,(H,26,29)