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

Systemtic Name: 8-chloranyl-1-(chloromethyl)-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Openeye Name: 8-chloro-1-(chloromethyl)-6-(2-pyridyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine CAS Name: 8-chloro-1-(chloromethyl)-6-(2-pyridinyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine IUPAC Name: 8-chloro-1-(chloromethyl)-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Traditional Name: 8-chloro-1-(chloromethyl)-6-(2-pyridyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Formula: C16H11Cl2N5 MolecularWeight: 344.19804

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=NN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=N4)CCl

Isomeric SMILES

C1C2=NN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=N4)CCl

InChI

InChI=1S/C16H11Cl2N5/c17-8-14-21-22-15-9-20-16(12-3-1-2-6-19-12)11-7-10(18)4-5-13(11)23(14)15/h1-7H,8-9H2