tert-butyl 4-(6-bromanyl-5-ethoxy-pyridin-3-yl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(6-bromanyl-5-ethoxy-pyridin-3-yl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(6-bromo-5-ethoxy-3-pyridyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(6-bromo-5-ethoxy-3-pyridinyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(6-bromo-5-ethoxy-3-pyridyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C17H26BrN3O3 MolecularWeight: 400.31064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(N=CC(=C1)N2CCCN(CC2)C(=O)OC(C)(C)C)Br

Isomeric SMILES

CCOC1=C(N=CC(=C1)N2CCCN(CC2)C(=O)OC(C)(C)C)Br

InChI

InChI=1S/C17H26BrN3O3/c1-5-23-14-11-13(12-19-15(14)18)20-7-6-8-21(10-9-20)16(22)24-17(2,3)4/h11-12H,5-10H2,1-4H3