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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-chloranyl-4-cyano-phenyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-chloro-4-cyano-phenyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(3-chloro-4-cyanophenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-(4-piperonylpiperazino)acetamide Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC(=C(C=C4)C#N)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC(=C(C=C4)C#N)Cl

InChI

InChI=1S/C21H21ClN4O3/c22-18-10-17(3-2-16(18)11-23)24-21(27)13-26-7-5-25(6-8-26)12-15-1-4-19-20(9-15)29-14-28-19/h1-4,9-10H,5-8,12-14H2,(H,24,27)