N-(3-methylbutyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: N-(3-methylbutyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-isopentyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-(3-methylbutyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(3-methylbutyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-isoamyl-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C18H24F3N3O3 MolecularWeight: 387.39667

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24F3N3O3/c1-12(2)5-8-22-17(25)13-6-9-23(10-7-13)15-4-3-14(18(19,20)21)11-16(15)24(26)27/h3-4,11-13H,5-10H2,1-2H3,(H,22,25)