8-(chloromethyl)-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Systemtic Name: 8-(chloromethyl)-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Openeye Name: 8-(chloromethyl)-6-(2-pyridyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine CAS Name: 8-(chloromethyl)-6-(2-pyridinyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine IUPAC Name: 8-(chloromethyl)-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Traditional Name: 8-(chloromethyl)-6-(2-pyridyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Formula: C16H12ClN5 MolecularWeight: 309.75298

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=NN=CN2C3=C(C=C(C=C3)CCl)C(=N1)C4=CC=CC=N4

Isomeric SMILES

C1C2=NN=CN2C3=C(C=C(C=C3)CCl)C(=N1)C4=CC=CC=N4

InChI

InChI=1S/C16H12ClN5/c17-8-11-4-5-14-12(7-11)16(13-3-1-2-6-18-13)19-9-15-21-20-10-22(14)15/h1-7,10H,8-9H2