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

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

CC1=NN=C(N1CC2=CC=CC=C2)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)C3CCN(CC3)C(=O)OC(C)(C)C

InChI

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