2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-bromanyl-4-methyl-phenyl)propanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-bromanyl-4-methyl-phenyl)propanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-bromo-4-methyl-phenyl)propanamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(2-bromo-4-methylphenyl)propanamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-bromo-4-methylphenyl)propanamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-(4-piperonylpiperazino)propionamide Formula: C22H26BrN3O3 MolecularWeight: 460.36414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Br

InChI

InChI=1S/C22H26BrN3O3/c1-15-3-5-19(18(23)11-15)24-22(27)16(2)26-9-7-25(8-10-26)13-17-4-6-20-21(12-17)29-14-28-20/h3-6,11-12,16H,7-10,13-14H2,1-2H3,(H,24,27)