N-[2-(4-butanoylpiperazin-1-yl)ethyl]-N-[(4-fluorophenyl)methyl]octanamide

Systemtic Name: N-[2-(4-butanoylpiperazin-1-yl)ethyl]-N-[(4-fluorophenyl)methyl]octanamide Openeye Name: N-[2-(4-butanoylpiperazin-1-yl)ethyl]-N-[(4-fluorophenyl)methyl]octanamide CAS Name: N-[(4-fluorophenyl)methyl]-N-[2-[4-(1-oxobutyl)-1-piperazinyl]ethyl]octanamide IUPAC Name: N-[2-(4-butanoylpiperazin-1-yl)ethyl]-N-[(4-fluorophenyl)methyl]octanamide Traditional Name: N-[2-(4-butyrylpiperazino)ethyl]-N-(4-fluorobenzyl)caprylamide Formula: C25H40FN3O2 MolecularWeight: 433.602403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N(CCN1CCN(CC1)C(=O)CCC)CC2=CC=C(C=C2)F

Isomeric SMILES

CCCCCCCC(=O)N(CCN1CCN(CC1)C(=O)CCC)CC2=CC=C(C=C2)F

InChI

InChI=1S/C25H40FN3O2/c1-3-5-6-7-8-10-25(31)29(21-22-11-13-23(26)14-12-22)20-17-27-15-18-28(19-16-27)24(30)9-4-2/h11-14H,3-10,15-21H2,1-2H3