4-tert-butyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Systemtic Name: 4-tert-butyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Openeye Name: 4-tert-butyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine CAS Name: 4-tert-butyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine IUPAC Name: 4-tert-butyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Traditional Name: 4-tert-butyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Formula: C14H16N4 MolecularWeight: 240.30364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C2=NN=CN2C3=CC=CC=C3C=N1

Isomeric SMILES

CC(C)(C)C1C2=NN=CN2C3=CC=CC=C3C=N1

InChI

InChI=1S/C14H16N4/c1-14(2,3)12-13-17-16-9-18(13)11-7-5-4-6-10(11)8-15-12/h4-9,12H,1-3H3