N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-fluoranyl-benzamide

Systemtic Name: N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-fluoranyl-benzamide Openeye Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-fluoro-benzamide CAS Name: N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-3-fluorobenzamide IUPAC Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-fluorobenzamide Traditional Name: N-[3-chloro-4-(4-isovalerylpiperazino)phenyl]-3-fluoro-benzamide Formula: C22H25ClFN3O2 MolecularWeight: 417.904203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClFN3O2/c1-15(2)12-21(28)27-10-8-26(9-11-27)20-7-6-18(14-19(20)23)25-22(29)16-4-3-5-17(24)13-16/h3-7,13-15H,8-12H2,1-2H3,(H,25,29)