N-[2-(4-fluorophenyl)ethyl]-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide

Systemtic Name: N-[2-(4-fluorophenyl)ethyl]-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-[2-(4-fluorophenyl)ethyl]-4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-[2-(4-fluorophenyl)ethyl]-4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-[2-(4-fluorophenyl)ethyl]-4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: N-[2-(4-fluorophenyl)ethyl]-4-[(3S)-3-methylpiperidino]-3-nitro-benzamide Formula: C21H24FN3O3 MolecularWeight: 385.431963

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H24FN3O3/c1-15-3-2-12-24(14-15)19-9-6-17(13-20(19)25(27)28)21(26)23-11-10-16-4-7-18(22)8-5-16/h4-9,13,15H,2-3,10-12,14H2,1H3,(H,23,26)/t15-/m0/s1