N-[(3-chlorophenyl)methyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-(3-chlorobenzyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C20H19ClF3N3O3 MolecularWeight: 441.83137

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC(=CC=C2)Cl)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC(=CC=C2)Cl)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClF3N3O3/c21-16-3-1-2-13(10-16)12-25-19(28)14-6-8-26(9-7-14)17-5-4-15(20(22,23)24)11-18(17)27(29)30/h1-5,10-11,14H,6-9,12H2,(H,25,28)