4-(dimethylamino)-N-[[3-fluoranyl-4-(4-oxidanylpiperidin-1-yl)phenyl]methyl]-3-nitro-benzamide

Systemtic Name: 4-(dimethylamino)-N-[[3-fluoranyl-4-(4-oxidanylpiperidin-1-yl)phenyl]methyl]-3-nitro-benzamide Openeye Name: 4-(dimethylamino)-N-[[3-fluoro-4-(4-hydroxy-1-piperidyl)phenyl]methyl]-3-nitro-benzamide CAS Name: 4-(dimethylamino)-N-[[3-fluoro-4-(4-hydroxy-1-piperidinyl)phenyl]methyl]-3-nitrobenzamide IUPAC Name: 4-(dimethylamino)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-nitrobenzamide Traditional Name: 4-(dimethylamino)-N-[3-fluoro-4-(4-hydroxypiperidino)benzyl]-3-nitro-benzamide Formula: C21H25FN4O4 MolecularWeight: 416.446003

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)NCC2=CC(=C(C=C2)N3CCC(CC3)O)F)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)NCC2=CC(=C(C=C2)N3CCC(CC3)O)F)[N+](=O)[O-]

InChI

InChI=1S/C21H25FN4O4/c1-24(2)19-6-4-15(12-20(19)26(29)30)21(28)23-13-14-3-5-18(17(22)11-14)25-9-7-16(27)8-10-25/h3-6,11-12,16,27H,7-10,13H2,1-2H3,(H,23,28)