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

Systemtic Name: tert-butyl 4-(5-ethoxypyridin-3-yl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(5-ethoxy-3-pyridyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(5-ethoxy-3-pyridinyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-ethoxypyridin-3-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(5-ethoxy-3-pyridyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C17H27N3O3 MolecularWeight: 321.41458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CN=CC(=C1)N2CCCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC1=CN=CC(=C1)N2CCCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H27N3O3/c1-5-22-15-11-14(12-18-13-15)19-7-6-8-20(10-9-19)16(21)23-17(2,3)4/h11-13H,5-10H2,1-4H3