N-[3,5-bis(fluoranyl)phenyl]-4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[3,5-bis(fluoranyl)phenyl]-4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-(3,5-difluorophenyl)-4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-(3,5-difluorophenyl)-4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-(3,5-difluorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(3,5-difluorophenyl)-4-(3,5-dimethylpiperidino)-3-nitro-benzamide Formula: C20H21F2N3O3 MolecularWeight: 389.395846

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC(=C3)F)F)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC(=C3)F)F)[N+](=O)[O-])C

InChI

InChI=1S/C20H21F2N3O3/c1-12-5-13(2)11-24(10-12)18-4-3-14(6-19(18)25(27)28)20(26)23-17-8-15(21)7-16(22)9-17/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,23,26)