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

Systemtic Name: 1-(8-bromanyl-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N-methyl-methanamine Openeye Name: 1-[8-bromo-6-(2-pyridyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]-N-methyl-methanamine CAS Name: 1-[8-bromo-6-(2-pyridinyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]-N-methylmethanamine IUPAC Name: 1-(8-bromo-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N-methylmethanamine Traditional Name: [8-bromo-6-(2-pyridyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyl-methyl-amine Formula: C17H15BrN6 MolecularWeight: 383.2452

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=NN=C2N1C3=C(C=C(C=C3)Br)C(=NC2)C4=CC=CC=N4

Isomeric SMILES

CNCC1=NN=C2N1C3=C(C=C(C=C3)Br)C(=NC2)C4=CC=CC=N4

InChI

InChI=1S/C17H15BrN6/c1-19-9-15-22-23-16-10-21-17(13-4-2-3-7-20-13)12-8-11(18)5-6-14(12)24(15)16/h2-8,19H,9-10H2,1H3