8-bromanyl-1-ethyl-6-pyrrolidin-1-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Systemtic Name: 8-bromanyl-1-ethyl-6-pyrrolidin-1-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Openeye Name: 8-bromo-1-ethyl-6-pyrrolidin-1-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine CAS Name: 8-bromo-1-ethyl-6-(1-pyrrolidinyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine IUPAC Name: 8-bromo-1-ethyl-6-pyrrolidin-1-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Traditional Name: 8-bromo-1-ethyl-6-pyrrolidino-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Formula: C16H18BrN5 MolecularWeight: 360.25162

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C2N1C3=C(C=C(C=C3)Br)C(=NC2)N4CCCC4

Isomeric SMILES

CCC1=NN=C2N1C3=C(C=C(C=C3)Br)C(=NC2)N4CCCC4

InChI

InChI=1S/C16H18BrN5/c1-2-14-19-20-15-10-18-16(21-7-3-4-8-21)12-9-11(17)5-6-13(12)22(14)15/h5-6,9H,2-4,7-8,10H2,1H3