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

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide Openeye Name: 4-[(3-chloro-4-fluoro-phenyl)methyl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide CAS Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(2-ethoxyphenyl)-1-piperazinecarboxamide IUPAC Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide Traditional Name: 4-(3-chloro-4-fluoro-benzyl)-N-o-phenetyl-piperazine-1-carboxamide Formula: C20H23ClFN3O2 MolecularWeight: 391.866923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)N2CCN(CC2)CC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)N2CCN(CC2)CC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H23ClFN3O2/c1-2-27-19-6-4-3-5-18(19)23-20(26)25-11-9-24(10-12-25)14-15-7-8-17(22)16(21)13-15/h3-8,13H,2,9-12,14H2,1H3,(H,23,26)