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

Systemtic Name: tert-butyl 4-(6-bromanyl-5-methoxy-pyridin-3-yl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(6-bromo-5-methoxy-3-pyridyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(6-bromo-5-methoxy-3-pyridinyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-bromo-5-methoxypyridin-3-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(6-bromo-5-methoxy-3-pyridyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C16H24BrN3O3 MolecularWeight: 386.28406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC(=C(N=C2)Br)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC(=C(N=C2)Br)OC

InChI

InChI=1S/C16H24BrN3O3/c1-16(2,3)23-15(21)20-7-5-6-19(8-9-20)12-10-13(22-4)14(17)18-11-12/h10-11H,5-9H2,1-4H3