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

Systemtic Name: tert-butyl 4-(6-bromanyl-5-propoxy-pyridin-3-yl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(6-bromo-5-propoxy-3-pyridyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(6-bromo-5-propoxy-3-pyridinyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-bromo-5-propoxypyridin-3-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(6-bromo-5-propoxy-3-pyridyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C18H28BrN3O3 MolecularWeight: 414.33722

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(N=CC(=C1)N2CCCN(CC2)C(=O)OC(C)(C)C)Br

Isomeric SMILES

CCCOC1=C(N=CC(=C1)N2CCCN(CC2)C(=O)OC(C)(C)C)Br

InChI

InChI=1S/C18H28BrN3O3/c1-5-11-24-15-12-14(13-20-16(15)19)21-7-6-8-22(10-9-21)17(23)25-18(2,3)4/h12-13H,5-11H2,1-4H3