tert-butyl 4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]piperidine-1-carboxylate CAS Name: 4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate Traditional Name: 4-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C17H23N5O2 MolecularWeight: 329.39682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=NN2)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=NN2)C3=CC=NC=C3

InChI

InChI=1S/C17H23N5O2/c1-17(2,3)24-16(23)22-10-6-13(7-11-22)15-19-14(20-21-15)12-4-8-18-9-5-12/h4-5,8-9,13H,6-7,10-11H2,1-3H3,(H,19,20,21)