N-[2-(8-bromanyl-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)ethoxy]propan-1-imine

Systemtic Name: N-[2-(8-bromanyl-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)ethoxy]propan-1-imine Openeye Name: N-[2-[8-bromo-6-(2-pyridyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]ethoxy]propan-1-imine CAS Name: N-[2-[8-bromo-6-(2-pyridinyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]ethoxy]-1-propanimine IUPAC Name: N-[2-(8-bromo-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)ethoxy]propan-1-imine Traditional Name: (E)-2-[8-bromo-6-(2-pyridyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]ethoxy-propylidene-amine Formula: C20H19BrN6O MolecularWeight: 439.30846

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Descriptors Computed from Structure

Canonical SMILES:

CCC=NOCCC1=NN=C2N1C3=C(C=C(C=C3)Br)C(=NC2)C4=CC=CC=N4

Isomeric SMILES

CC/C=N/OCCC1=NN=C2N1C3=C(C=C(C=C3)Br)C(=NC2)C4=CC=CC=N4

InChI

InChI=1S/C20H19BrN6O/c1-2-9-24-28-11-8-18-25-26-19-13-23-20(16-5-3-4-10-22-16)15-12-14(21)6-7-17(15)27(18)19/h3-7,9-10,12H,2,8,11,13H2,1H3/b24-9+