tert-butyl 4-(5-methoxypyridin-3-yl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(5-methoxypyridin-3-yl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(5-methoxy-3-pyridyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(5-methoxy-3-pyridinyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-methoxypyridin-3-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(5-methoxy-3-pyridyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C16H25N3O3 MolecularWeight: 307.388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC(=CN=C2)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC(=CN=C2)OC

InChI

InChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)19-7-5-6-18(8-9-19)13-10-14(21-4)12-17-11-13/h10-12H,5-9H2,1-4H3