tert-butyl 4-(3-methylpyridin-2-yl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(3-methylpyridin-2-yl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(3-methyl-2-pyridyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(3-methyl-2-pyridinyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-methylpyridin-2-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(3-methyl-2-pyridyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C16H25N3O2 MolecularWeight: 291.3886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)N2CCCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(N=CC=C1)N2CCCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H25N3O2/c1-13-7-5-8-17-14(13)18-9-6-10-19(12-11-18)15(20)21-16(2,3)4/h5,7-8H,6,9-12H2,1-4H3