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

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-(2-methyl-5-nitro-phenyl)piperidine-4-carboxamide Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-N-(2-methyl-5-nitro-phenyl)piperidine-4-carboxamide CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methyl-5-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-N-(2-methyl-5-nitro-phenyl)isonipecotamide Formula: C20H21ClFN3O3 MolecularWeight: 405.850443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCN(CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCN(CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H21ClFN3O3/c1-13-5-6-15(25(27)28)11-19(13)23-20(26)14-7-9-24(10-8-14)12-16-17(21)3-2-4-18(16)22/h2-6,11,14H,7-10,12H2,1H3,(H,23,26)