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

Systemtic Name: 8-bromanyl-1-methyl-6-piperidin-1-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Openeye Name: 8-bromo-1-methyl-6-(1-piperidyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine CAS Name: 8-bromo-1-methyl-6-(1-piperidinyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine IUPAC Name: 8-bromo-1-methyl-6-piperidin-1-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Traditional Name: 8-bromo-1-methyl-6-piperidino-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:

CC1=NN=C2N1C3=C(C=C(C=C3)Br)C(=NC2)N4CCCCC4

Isomeric SMILES

CC1=NN=C2N1C3=C(C=C(C=C3)Br)C(=NC2)N4CCCCC4

InChI

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