tert-butyl 4-(6-methoxypyridin-3-yl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(6-methoxypyridin-3-yl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(6-methoxy-3-pyridyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(6-methoxy-3-pyridinyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-methoxypyridin-3-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(6-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=CN=C(C=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)19-9-5-8-18(10-11-19)13-6-7-14(21-4)17-12-13/h6-7,12H,5,8-11H2,1-4H3