3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N-(2-pyridylmethyl)benzamide CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-N-(2-pyridinylmethyl)benzamide IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 3-[(4-piperonylpiperazino)methyl]-N-(2-pyridylmethyl)benzamide Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=CC=CC(=C4)C(=O)NCC5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=CC=CC(=C4)C(=O)NCC5=CC=CC=N5

InChI

InChI=1S/C26H28N4O3/c31-26(28-16-23-6-1-2-9-27-23)22-5-3-4-20(14-22)17-29-10-12-30(13-11-29)18-21-7-8-24-25(15-21)33-19-32-24/h1-9,14-15H,10-13,16-19H2,(H,28,31)