tert-butyl 4-[3-(2-azanylpyridin-3-yl)-3-oxidanylidene-propyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(2-azanylpyridin-3-yl)-3-oxidanylidene-propyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-(2-amino-3-pyridyl)-3-oxo-propyl]piperidine-1-carboxylate CAS Name: 4-[3-(2-amino-3-pyridinyl)-3-oxopropyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(2-aminopyridin-3-yl)-3-oxopropyl]piperidine-1-carboxylate Traditional Name: 4-[3-(2-amino-3-pyridyl)-3-keto-propyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCC(=O)C2=C(N=CC=C2)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCC(=O)C2=C(N=CC=C2)N

InChI

InChI=1S/C18H27N3O3/c1-18(2,3)24-17(23)21-11-8-13(9-12-21)6-7-15(22)14-5-4-10-20-16(14)19/h4-5,10,13H,6-9,11-12H2,1-3H3,(H2,19,20)