N-[1-[4-(2-ethylhexanoyl)-3-methyl-piperazin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]-3-fluoranyl-benzamide

Systemtic Name: N-[1-[4-(2-ethylhexanoyl)-3-methyl-piperazin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]-3-fluoranyl-benzamide Openeye Name: N-[1-[4-(2-ethylhexanoyl)-3-methyl-piperazine-1-carbonyl]-2-methyl-butyl]-3-fluoro-benzamide CAS Name: N-[1-[4-(2-ethyl-1-oxohexyl)-3-methyl-1-piperazinyl]-3-methyl-1-oxopentan-2-yl]-3-fluorobenzamide IUPAC Name: N-[1-[4-(2-ethylhexanoyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-fluorobenzamide Traditional Name: N-[1-[4-(2-ethylhexanoyl)-3-methyl-piperazine-1-carbonyl]-2-methyl-butyl]-3-fluoro-benzamide Formula: C26H40FN3O3 MolecularWeight: 461.612503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1CCN(CC1C)C(=O)C(C(C)CC)NC(=O)C2=CC(=CC=C2)F

Isomeric SMILES

CCCCC(CC)C(=O)N1CCN(CC1C)C(=O)C(C(C)CC)NC(=O)C2=CC(=CC=C2)F

InChI

InChI=1S/C26H40FN3O3/c1-6-9-11-20(8-3)25(32)30-15-14-29(17-19(30)5)26(33)23(18(4)7-2)28-24(31)21-12-10-13-22(27)16-21/h10,12-13,16,18-20,23H,6-9,11,14-15,17H2,1-5H3,(H,28,31)