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

Systemtic Name: N-[4-(2-methylpropanoylamino)phenyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-[4-(2-methylpropanoylamino)phenyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(2-methylpropanoylamino)phenyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-[4-(isobutyrylamino)phenyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C23H25F3N4O4 MolecularWeight: 478.46421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C23H25F3N4O4/c1-14(2)21(31)27-17-4-6-18(7-5-17)28-22(32)15-9-11-29(12-10-15)19-8-3-16(23(24,25)26)13-20(19)30(33)34/h3-8,13-15H,9-12H2,1-2H3,(H,27,31)(H,28,32)