ethyl 4-[5-[[2-cyanoethyl(2-pyridin-2-ylethyl)amino]methyl]-1,2,3,4-tetrazol-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[5-[[2-cyanoethyl(2-pyridin-2-ylethyl)amino]methyl]-1,2,3,4-tetrazol-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[5-[[2-cyanoethyl-[2-(2-pyridyl)ethyl]amino]methyl]tetrazol-1-yl]piperidine-1-carboxylate CAS Name: 4-[5-[[2-cyanoethyl-[2-(2-pyridinyl)ethyl]amino]methyl]-1-tetrazolyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[[2-cyanoethyl(2-pyridin-2-ylethyl)amino]methyl]tetrazol-1-yl]piperidine-1-carboxylate Traditional Name: 4-[5-[[2-cyanoethyl-[2-(2-pyridyl)ethyl]amino]methyl]tetrazol-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C20H28N8O2 MolecularWeight: 412.48872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C(=NN=N2)CN(CCC#N)CCC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C(=NN=N2)CN(CCC#N)CCC3=CC=CC=N3

InChI

InChI=1S/C20H28N8O2/c1-2-30-20(29)27-14-8-18(9-15-27)28-19(23-24-25-28)16-26(12-5-10-21)13-7-17-6-3-4-11-22-17/h3-4,6,11,18H,2,5,7-9,12-16H2,1H3