N-[3-chloranyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[3-chloranyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-4-fluoranyl-benzamide Openeye Name: N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-4-fluoro-benzamide CAS Name: N-[3-chloro-4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]phenyl]-4-fluorobenzamide IUPAC Name: N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-4-fluorobenzamide Traditional Name: N-[3-chloro-4-(4-pivaloylpiperazino)phenyl]-4-fluoro-benzamide Formula: C22H25ClFN3O2 MolecularWeight: 417.904203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)Cl

Isomeric SMILES

CC(C)(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C22H25ClFN3O2/c1-22(2,3)21(29)27-12-10-26(11-13-27)19-9-8-17(14-18(19)23)25-20(28)15-4-6-16(24)7-5-15/h4-9,14H,10-13H2,1-3H3,(H,25,28)