N-[(3-fluoranyl-4-methyl-phenyl)methyl]-1-(2-methyl-3-nitro-phenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-1-(2-methyl-3-nitro-phenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-1-(2-methyl-3-nitro-benzoyl)piperidine-4-carboxamide CAS Name: N-[(3-fluoro-4-methylphenyl)methyl]-1-[(2-methyl-3-nitrophenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-methyl-3-nitrobenzoyl)piperidine-4-carboxamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-1-(2-methyl-3-nitro-benzoyl)isonipecotamide Formula: C22H24FN3O4 MolecularWeight: 413.442063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C)F

InChI

InChI=1S/C22H24FN3O4/c1-14-6-7-16(12-19(14)23)13-24-21(27)17-8-10-25(11-9-17)22(28)18-4-3-5-20(15(18)2)26(29)30/h3-7,12,17H,8-11,13H2,1-2H3,(H,24,27)