N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[3-[3-(1-piperazinylmethyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[3-(piperazinomethyl)phenyl]benzyl]-piperonylamide Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=CC=CC(=C2)C3=CC(=CC=C3)CNC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1)CC2=CC=CC(=C2)C3=CC(=CC=C3)CNC(=O)C4=CC5=C(C=C4)OCO5

InChI

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