N-(3-acetamido-4-fluoranyl-phenyl)-4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(3-acetamido-4-fluoranyl-phenyl)-4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-(3-acetamido-4-fluoro-phenyl)-4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-(3-acetamido-4-fluorophenyl)-4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-(3-acetamido-4-fluorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(3-acetamido-4-fluoro-phenyl)-4-(3,5-dimethylpiperidino)-3-nitro-benzamide Formula: C22H25FN4O4 MolecularWeight: 428.456703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN4O4/c1-13-8-14(2)12-26(11-13)20-7-4-16(9-21(20)27(30)31)22(29)25-17-5-6-18(23)19(10-17)24-15(3)28/h4-7,9-10,13-14H,8,11-12H2,1-3H3,(H,24,28)(H,25,29)