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

Systemtic Name: 8-bromanyl-1-(chloromethyl)-4-ethyl-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Openeye Name: 8-bromo-1-(chloromethyl)-4-ethyl-6-(2-pyridyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine CAS Name: 8-bromo-1-(chloromethyl)-4-ethyl-6-(2-pyridinyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine IUPAC Name: 8-bromo-1-(chloromethyl)-4-ethyl-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Traditional Name: 8-bromo-1-(chloromethyl)-4-ethyl-6-(2-pyridyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Formula: C18H15BrClN5 MolecularWeight: 416.7022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=NN=C(N2C3=C(C=C(C=C3)Br)C(=N1)C4=CC=CC=N4)CCl

Isomeric SMILES

CCC1C2=NN=C(N2C3=C(C=C(C=C3)Br)C(=N1)C4=CC=CC=N4)CCl

InChI

InChI=1S/C18H15BrClN5/c1-2-13-18-24-23-16(10-20)25(18)15-7-6-11(19)9-12(15)17(22-13)14-5-3-4-8-21-14/h3-9,13H,2,10H2,1H3