(phenylmethyl) 2-[4-(2-fluoranylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(2-fluoranylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(2-fluoropyridine-3-carbonyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[(2-fluoro-3-pyridinyl)-oxomethyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(2-fluoropyridine-3-carbonyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(2-fluoronicotinoyl)-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C20H22FN3O3 MolecularWeight: 371.405383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O3/c21-19-17(8-4-9-22-19)20(26)24-11-5-10-23(12-13-24)14-18(25)27-15-16-6-2-1-3-7-16/h1-4,6-9H,5,10-15H2