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

Systemtic Name: tert-butyl 4-[1-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-(5-benzyl-1-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate CAS Name: 4-[1-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-benzyl-1-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate Traditional Name: 4-(5-benzyl-1-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylic acid tert-butyl ester Formula: C20H28N4O2 MolecularWeight: 356.46192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O2/c1-20(2,3)26-19(25)24-12-10-16(11-13-24)18-21-17(23(4)22-18)14-15-8-6-5-7-9-15/h5-9,16H,10-14H2,1-4H3