(phenylmethyl) 2-[4-(2-fluoranyl-2-phenyl-ethanoyl)-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(2-fluoranyl-2-phenyl-ethanoyl)-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(2-fluoro-2-phenyl-acetyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-(2-fluoro-1-oxo-2-phenylethyl)-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(2-fluoro-2-phenylacetyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(2-fluoro-2-phenyl-acetyl)-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C22H25FN2O3 MolecularWeight: 384.443903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C(C2=CC=CC=C2)F)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C(C2=CC=CC=C2)F)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H25FN2O3/c23-21(19-10-5-2-6-11-19)22(27)25-13-7-12-24(14-15-25)16-20(26)28-17-18-8-3-1-4-9-18/h1-6,8-11,21H,7,12-17H2