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

Systemtic Name: tert-butyl 4-(6-chloranylpyridin-3-yl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(6-chloro-3-pyridyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(6-chloro-3-pyridinyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-chloropyridin-3-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(6-chloro-3-pyridyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C15H22ClN3O2 MolecularWeight: 311.80708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22ClN3O2/c1-15(2,3)21-14(20)19-8-4-7-18(9-10-19)12-5-6-13(16)17-11-12/h5-6,11H,4,7-10H2,1-3H3