N-(4-chloranyl-2,5-dimethoxy-phenyl)-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidine-4-carboxamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidine-4-carboxamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-1-[(2-chloro-6-fluoro-phenyl)methyl]piperidine-4-carboxamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-1-(2-chloro-6-fluoro-benzyl)isonipecotamide Formula: C21H23Cl2FN2O3 MolecularWeight: 441.323323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2CCN(CC2)CC3=C(C=CC=C3Cl)F)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2CCN(CC2)CC3=C(C=CC=C3Cl)F)OC)Cl

InChI

InChI=1S/C21H23Cl2FN2O3/c1-28-19-11-18(20(29-2)10-16(19)23)25-21(27)13-6-8-26(9-7-13)12-14-15(22)4-3-5-17(14)24/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,25,27)