[5-[[4-(6-bromanylpyridin-2-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate

Systemtic Name: [5-[[4-(6-bromanylpyridin-2-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate Openeye Name: [5-[[4-(6-bromopyridine-2-carbonyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl acetate CAS Name: acetic acid [5-[[4-[(6-bromo-2-pyridinyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furanyl]methyl ester IUPAC Name: [5-[[4-(6-bromopyridine-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl acetate Traditional Name: acetic acid [5-[[4-(6-bromopicolinoyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl ester Formula: C19H22BrN3O4 MolecularWeight: 436.29968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=NC(=CC=C3)Br

Isomeric SMILES

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)C3=NC(=CC=C3)Br

InChI

InChI=1S/C19H22BrN3O4/c1-14(24)26-13-16-7-6-15(27-16)12-22-8-3-9-23(11-10-22)19(25)17-4-2-5-18(20)21-17/h2,4-7H,3,8-13H2,1H3