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

Systemtic Name: tert-butyl N-[3-[(4-chlorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-4-yl]carbamate Openeye Name: tert-butyl N-[3-[(4-chlorophenyl)methyl]-5-(4-pyridyl)-1,2,4-triazol-4-yl]carbamate CAS Name: N-[3-[(4-chlorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-4-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[(4-chlorophenyl)methyl]-5-pyridin-4-yl-1,2,4-triazol-4-yl]carbamate Traditional Name: N-[3-(4-chlorobenzyl)-5-(4-pyridyl)-1,2,4-triazol-4-yl]carbamic acid tert-butyl ester Formula: C19H20ClN5O2 MolecularWeight: 385.8474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN5O2/c1-19(2,3)27-18(26)24-25-16(12-13-4-6-15(20)7-5-13)22-23-17(25)14-8-10-21-11-9-14/h4-11H,12H2,1-3H3,(H,24,26)