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

Systemtic Name: tert-butyl 4-(5-cyclopropylpyridin-3-yl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(5-cyclopropyl-3-pyridyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(5-cyclopropyl-3-pyridinyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-cyclopropylpyridin-3-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(5-cyclopropyl-3-pyridyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C18H27N3O2 MolecularWeight: 317.42588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CN=CC(=C2)C3CC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CN=CC(=C2)C3CC3

InChI

InChI=1S/C18H27N3O2/c1-18(2,3)23-17(22)21-8-4-7-20(9-10-21)16-11-15(12-19-13-16)14-5-6-14/h11-14H,4-10H2,1-3H3