N-heptan-2-yl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

Systemtic Name: N-heptan-2-yl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide Openeye Name: N-(1-methylhexyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide CAS Name: N-heptan-2-yl-4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinecarboxamide IUPAC Name: N-heptan-2-yl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide Traditional Name: N-(1-methylhexyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide Formula: C19H27F3N4O3 MolecularWeight: 416.43789

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCCC(C)NC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H27F3N4O3/c1-3-4-5-6-14(2)23-18(27)25-11-9-24(10-12-25)16-8-7-15(19(20,21)22)13-17(16)26(28)29/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,23,27)