tert-butyl 2-[2-(3-cyanophenyl)-1,2,3,4-tetrazol-5-yl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[2-(3-cyanophenyl)-1,2,3,4-tetrazol-5-yl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[2-(3-cyanophenyl)tetrazol-5-yl]pyrrolidine-1-carboxylate CAS Name: 2-[2-(3-cyanophenyl)-5-tetrazolyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(3-cyanophenyl)tetrazol-5-yl]pyrrolidine-1-carboxylate Traditional Name: 2-[2-(3-cyanophenyl)tetrazol-5-yl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C17H20N6O2 MolecularWeight: 340.3797

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C2=NN(N=N2)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C2=NN(N=N2)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H20N6O2/c1-17(2,3)25-16(24)22-9-5-8-14(22)15-19-21-23(20-15)13-7-4-6-12(10-13)11-18/h4,6-7,10,14H,5,8-9H2,1-3H3