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

Systemtic Name: N-[[3-[3-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[3-[3-(1-piperidylmethyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[3-[3-(1-piperidinylmethyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[3-[3-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[3-(piperidinomethyl)phenyl]benzyl]-piperonylamide Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=CC(=C2)C3=CC(=CC=C3)CNC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(CC1)CC2=CC=CC(=C2)C3=CC(=CC=C3)CNC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H28N2O3/c30-27(24-10-11-25-26(16-24)32-19-31-25)28-17-20-6-4-8-22(14-20)23-9-5-7-21(15-23)18-29-12-2-1-3-13-29/h4-11,14-16H,1-3,12-13,17-19H2,(H,28,30)