2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-N-[(2S)-5-methylhexan-2-yl]ethanamide

Systemtic Name: 2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-N-[(2S)-5-methylhexan-2-yl]ethanamide Openeye Name: N-[(1S)-1,4-dimethylpentyl]-2-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-1-yl]acetamide CAS Name: 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazinyl]-N-[(2S)-5-methylhexan-2-yl]acetamide IUPAC Name: 2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2S)-5-methylhexan-2-yl]acetamide Traditional Name: N-[(1S)-1,4-dimethylpentyl]-2-[4-(5-fluoro-2-methoxy-benzyl)piperazino]acetamide Formula: C21H34FN3O2 MolecularWeight: 379.511963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)CN1CCN(CC1)CC2=C(C=CC(=C2)F)OC

Isomeric SMILES

C[C@@H](CCC(C)C)NC(=O)CN1CCN(CC1)CC2=C(C=CC(=C2)F)OC

InChI

InChI=1S/C21H34FN3O2/c1-16(2)5-6-17(3)23-21(26)15-25-11-9-24(10-12-25)14-18-13-19(22)7-8-20(18)27-4/h7-8,13,16-17H,5-6,9-12,14-15H2,1-4H3,(H,23,26)/t17-/m0/s1