8-bromanyl-1-butyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Systemtic Name: 8-bromanyl-1-butyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Openeye Name: 8-bromo-1-butyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine CAS Name: 8-bromo-1-butyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine IUPAC Name: 8-bromo-1-butyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Traditional Name: 8-bromo-1-butyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Formula: C20H19BrN4 MolecularWeight: 395.29566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C2N1C3=C(C=C(C=C3)Br)C(=NC2)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=NN=C2N1C3=C(C=C(C=C3)Br)C(=NC2)C4=CC=CC=C4

InChI

InChI=1S/C20H19BrN4/c1-2-3-9-18-23-24-19-13-22-20(14-7-5-4-6-8-14)16-12-15(21)10-11-17(16)25(18)19/h4-8,10-12H,2-3,9,13H2,1H3