(3S)-1-(4-fluorophenyl)carbonyl-N-(4-methyl-3-nitro-phenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-fluorophenyl)carbonyl-N-(4-methyl-3-nitro-phenyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(4-fluorobenzoyl)-N-(4-methyl-3-nitro-phenyl)piperidine-3-carboxamide CAS Name: (3S)-1-[(4-fluorophenyl)-oxomethyl]-N-(4-methyl-3-nitrophenyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-fluorobenzoyl)-N-(4-methyl-3-nitrophenyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(4-fluorobenzoyl)-N-(4-methyl-3-nitro-phenyl)nipecotamide Formula: C20H20FN3O4 MolecularWeight: 385.388903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C20H20FN3O4/c1-13-4-9-17(11-18(13)24(27)28)22-19(25)15-3-2-10-23(12-15)20(26)14-5-7-16(21)8-6-14/h4-9,11,15H,2-3,10,12H2,1H3,(H,22,25)/t15-/m0/s1