N-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyridine-3-carboxamide

Systemtic Name: N-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyridine-3-carboxamide CAS Name: N-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyridine-3-carboxamide Traditional Name: N-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methyl]nicotinamide Formula: C18H18F3N5O3 MolecularWeight: 409.36243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CNC(=O)C2=CN=CC=C2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CNC(=O)C2=CN=CC=C2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H18F3N5O3/c19-18(20,21)14-3-4-15(16(10-14)26(28)29)25-8-6-24(7-9-25)12-23-17(27)13-2-1-5-22-11-13/h1-5,10-11H,6-9,12H2,(H,23,27)