(phenylmethyl) 2-[4-(6-bromanylpyridin-2-yl)carbonyl-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(6-bromanylpyridin-2-yl)carbonyl-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(6-bromopyridine-2-carbonyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[(6-bromo-2-pyridinyl)-oxomethyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(6-bromopyridine-2-carbonyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(6-bromopicolinoyl)-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C20H22BrN3O3 MolecularWeight: 432.31098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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