(phenylmethyl) 2-[4-(5-bromanylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(5-bromanylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(5-bromopyridine-3-carbonyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[(5-bromo-3-pyridinyl)-oxomethyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(5-bromopyridine-3-carbonyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(5-bromonicotinoyl)-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C20H22BrN3O3 MolecularWeight: 432.31098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O3/c21-18-11-17(12-22-13-18)20(26)24-8-4-7-23(9-10-24)14-19(25)27-15-16-5-2-1-3-6-16/h1-3,5-6,11-13H,4,7-10,14-15H2