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

Systemtic Name: N-[(4-aminocarbonylphenyl)methyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-[(4-carbamoylphenyl)methyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-[(4-carbamoylphenyl)methyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-[(4-carbamoylphenyl)methyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-(4-carbamoylbenzyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C21H21F3N4O4 MolecularWeight: 450.41105

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21F3N4O4/c22-21(23,24)16-5-6-17(18(11-16)28(31)32)27-9-7-15(8-10-27)20(30)26-12-13-1-3-14(4-2-13)19(25)29/h1-6,11,15H,7-10,12H2,(H2,25,29)(H,26,30)