5-(bromomethyl)-2-methyl-[1,2,4]triazolo[5,1-a]isoquinoline-6-carbonitrile

Systemtic Name: 5-(bromomethyl)-2-methyl-[1,2,4]triazolo[5,1-a]isoquinoline-6-carbonitrile Openeye Name: 5-(bromomethyl)-2-methyl-[1,2,4]triazolo[5,1-a]isoquinoline-6-carbonitrile CAS Name: 5-(bromomethyl)-2-methyl-[1,2,4]triazolo[5,1-a]isoquinoline-6-carbonitrile IUPAC Name: 5-(bromomethyl)-2-methyl-[1,2,4]triazolo[5,1-a]isoquinoline-6-carbonitrile Traditional Name: 5-(bromomethyl)-2-methyl-[1,2,4]triazol[5,1-a]isoquinoline-6-carbonitrile Formula: C13H9BrN4 MolecularWeight: 301.14136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=C(C3=CC=CC=C3C2=N1)C#N)CBr

Isomeric SMILES

CC1=NN2C(=C(C3=CC=CC=C3C2=N1)C#N)CBr

InChI

InChI=1S/C13H9BrN4/c1-8-16-13-10-5-3-2-4-9(10)11(7-15)12(6-14)18(13)17-8/h2-5H,6H2,1H3