4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide Openeye Name: 4-[(2-chloro-4-fluoro-phenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide CAS Name: 4-[(2-chloro-4-fluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)-1-piperazinecarboxamide IUPAC Name: 4-[(2-chloro-4-fluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide Traditional Name: 4-(2-chloro-4-fluoro-benzyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide Formula: C20H23ClFN3O3 MolecularWeight: 407.866323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl)OC

InChI

InChI=1S/C20H23ClFN3O3/c1-27-18-6-5-16(12-19(18)28-2)23-20(26)25-9-7-24(8-10-25)13-14-3-4-15(22)11-17(14)21/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)