N-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]-3-fluoranyl-benzamide

Systemtic Name: N-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]-3-fluoranyl-benzamide Openeye Name: N-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]-3-fluoro-benzamide CAS Name: N-[4-[4-(2-ethyl-1-oxobutyl)-1-piperazinyl]phenyl]-3-fluorobenzamide IUPAC Name: N-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]-3-fluorobenzamide Traditional Name: N-[4-[4-(2-ethylbutanoyl)piperazino]phenyl]-3-fluoro-benzamide Formula: C23H28FN3O2 MolecularWeight: 397.485723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28FN3O2/c1-3-17(4-2)23(29)27-14-12-26(13-15-27)21-10-8-20(9-11-21)25-22(28)18-6-5-7-19(24)16-18/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,25,28)