2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-chloranyl-4,6-dimethyl-phenyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-chloranyl-4,6-dimethyl-phenyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-chloro-4,6-dimethyl-phenyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(2-chloro-4,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-chloro-4,6-dimethylphenyl)acetamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-(4-piperonylpiperazino)acetamide Formula: C22H26ClN3O3 MolecularWeight: 415.91314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H26ClN3O3/c1-15-9-16(2)22(18(23)10-15)24-21(27)13-26-7-5-25(6-8-26)12-17-3-4-19-20(11-17)29-14-28-19/h3-4,9-11H,5-8,12-14H2,1-2H3,(H,24,27)