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

Systemtic Name: tert-butyl 4-[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-(5-benzyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxylate CAS Name: 4-[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-benzyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxylate Traditional Name: 4-(5-benzyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxylic acid tert-butyl ester Formula: C19H26N4O2 MolecularWeight: 342.43534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=NNC(=N2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=NNC(=N2)CC3=CC=CC=C3

InChI

InChI=1S/C19H26N4O2/c1-19(2,3)25-18(24)23-11-9-15(10-12-23)17-20-16(21-22-17)13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,20,21,22)