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

Systemtic Name: N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[2-[(4-phenyl-1-piperazinyl)methyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[(4-phenylpiperazino)methyl]benzyl]-piperonylamide Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2CNC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2CNC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C26H27N3O3/c30-26(20-10-11-24-25(16-20)32-19-31-24)27-17-21-6-4-5-7-22(21)18-28-12-14-29(15-13-28)23-8-2-1-3-9-23/h1-11,16H,12-15,17-19H2,(H,27,30)