tert-butyl N-[3-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-4-yl]carbamate

Systemtic Name: tert-butyl N-[3-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-4-yl]carbamate Openeye Name: tert-butyl N-[3-benzyl-5-(4-pyridyl)-1,2,4-triazol-4-yl]carbamate CAS Name: N-[3-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-4-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(3-benzyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)carbamate Traditional Name: N-[3-benzyl-5-(4-pyridyl)-1,2,4-triazol-4-yl]carbamic acid tert-butyl ester Formula: C19H21N5O2 MolecularWeight: 351.40234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN1C(=NN=C1C2=CC=NC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NN1C(=NN=C1C2=CC=NC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C19H21N5O2/c1-19(2,3)26-18(25)23-24-16(13-14-7-5-4-6-8-14)21-22-17(24)15-9-11-20-12-10-15/h4-12H,13H2,1-3H3,(H,23,25)