N-(5-methylhexan-2-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: N-(5-methylhexan-2-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-(1,4-dimethylpentyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-(5-methylhexan-2-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(5-methylhexan-2-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-(1,4-dimethylpentyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C20H28F3N3O3 MolecularWeight: 415.44983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCC(C)NC(=O)C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H28F3N3O3/c1-13(2)4-5-14(3)24-19(27)15-8-10-25(11-9-15)17-7-6-16(20(21,22)23)12-18(17)26(28)29/h6-7,12-15H,4-5,8-11H2,1-3H3,(H,24,27)