N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-[4-(phenylmethyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-[4-(phenylmethyl)piperazin-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-(4-chloro-2,5-dimethoxy-phenyl)acetamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(phenylmethyl)-1-piperazinyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide Traditional Name: 2-(4-benzylpiperazino)-N-(4-chloro-2,5-dimethoxy-phenyl)acetamide Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)OC)Cl

InChI

InChI=1S/C21H26ClN3O3/c1-27-19-13-18(20(28-2)12-17(19)22)23-21(26)15-25-10-8-24(9-11-25)14-16-6-4-3-5-7-16/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,23,26)