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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(3-bromophenyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]acetamide Traditional Name: 2-[4-(3-bromobenzyl)piperazino]-N-piperonyl-acetamide Formula: C21H24BrN3O3 MolecularWeight: 446.33756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)Br)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)Br)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24BrN3O3/c22-18-3-1-2-17(10-18)13-24-6-8-25(9-7-24)14-21(26)23-12-16-4-5-19-20(11-16)28-15-27-19/h1-5,10-11H,6-9,12-15H2,(H,23,26)