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

Systemtic Name: N-(4-methylpentyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide Openeye Name: N-isohexyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide CAS Name: N-(4-methylpentyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinecarboxamide IUPAC Name: N-(4-methylpentyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide Traditional Name: N-isohexyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide Formula: C18H25F3N4O3 MolecularWeight: 402.41131

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCNC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCCNC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H25F3N4O3/c1-13(2)4-3-7-22-17(26)24-10-8-23(9-11-24)15-6-5-14(18(19,20)21)12-16(15)25(27)28/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,22,26)