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

Systemtic Name: 8-bromanyl-6-piperidin-1-yl-1-propyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Openeye Name: 8-bromo-6-(1-piperidyl)-1-propyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine CAS Name: 8-bromo-6-(1-piperidinyl)-1-propyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine IUPAC Name: 8-bromo-6-piperidin-1-yl-1-propyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Traditional Name: 8-bromo-6-piperidino-1-propyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Formula: C18H22BrN5 MolecularWeight: 388.30478

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C2N1C3=C(C=C(C=C3)Br)C(=NC2)N4CCCCC4

Isomeric SMILES

CCCC1=NN=C2N1C3=C(C=C(C=C3)Br)C(=NC2)N4CCCCC4

InChI

InChI=1S/C18H22BrN5/c1-2-6-16-21-22-17-12-20-18(23-9-4-3-5-10-23)14-11-13(19)7-8-15(14)24(16)17/h7-8,11H,2-6,9-10,12H2,1H3