N-[[4-fluoranyl-3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[4-fluoranyl-3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-fluoro-3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-fluoro-3-[3-(1-piperazinylmethyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-fluoro-3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-fluoro-3-[3-(piperazinomethyl)phenyl]benzyl]-piperonylamide Formula: C26H26FN3O3 MolecularWeight: 447.501343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26FN3O3/c27-23-6-4-18(15-29-26(31)21-5-7-24-25(14-21)33-17-32-24)13-22(23)20-3-1-2-19(12-20)16-30-10-8-28-9-11-30/h1-7,12-14,28H,8-11,15-17H2,(H,29,31)