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

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-1-(3-nitrophenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-1-(3-nitrobenzoyl)piperidine-4-carboxamide CAS Name: N-[(3-fluoro-4-methylphenyl)methyl]-1-[(3-nitrophenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[(3-fluoro-4-methylphenyl)methyl]-1-(3-nitrobenzoyl)piperidine-4-carboxamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-1-(3-nitrobenzoyl)isonipecotamide Formula: C21H22FN3O4 MolecularWeight: 399.415483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3O4/c1-14-5-6-15(11-19(14)22)13-23-20(26)16-7-9-24(10-8-16)21(27)17-3-2-4-18(12-17)25(28)29/h2-6,11-12,16H,7-10,13H2,1H3,(H,23,26)