tert-butyl 2-(5,6-diphenyl-1,2,4-triazin-3-yl)ethanoate

Systemtic Name: tert-butyl 2-(5,6-diphenyl-1,2,4-triazin-3-yl)ethanoate Openeye Name: tert-butyl 2-(5,6-diphenyl-1,2,4-triazin-3-yl)acetate CAS Name: 2-(5,6-diphenyl-1,2,4-triazin-3-yl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(5,6-diphenyl-1,2,4-triazin-3-yl)acetate Traditional Name: 2-(5,6-diphenyl-1,2,4-triazin-3-yl)acetic acid tert-butyl ester Formula: C21H21N3O2 MolecularWeight: 347.41034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2/c1-21(2,3)26-18(25)14-17-22-19(15-10-6-4-7-11-15)20(24-23-17)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3