(phenylmethyl) 2-[4-(3-bromanyl-2-fluoranyl-phenyl)carbonyl-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(3-bromanyl-2-fluoranyl-phenyl)carbonyl-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(3-bromo-2-fluoro-benzoyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[(3-bromo-2-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(3-bromo-2-fluorobenzoyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(3-bromo-2-fluoro-benzoyl)-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C21H22BrFN2O3 MolecularWeight: 449.313383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrFN2O3/c22-18-9-4-8-17(20(18)23)21(27)25-11-5-10-24(12-13-25)14-19(26)28-15-16-6-2-1-3-7-16/h1-4,6-9H,5,10-15H2