1-[tris(bromanyl)methyl]-1,2-dihydroisoquinoline-4-carbonitrile

Systemtic Name: 1-[tris(bromanyl)methyl]-1,2-dihydroisoquinoline-4-carbonitrile Openeye Name: 1-(tribromomethyl)-1,2-dihydroisoquinoline-4-carbonitrile CAS Name: 1-(tribromomethyl)-1,2-dihydroisoquinoline-4-carbonitrile IUPAC Name: 1-(tribromomethyl)-1,2-dihydroisoquinoline-4-carbonitrile Traditional Name: 1-(tribromomethyl)-1,2-dihydroisoquinoline-4-carbonitrile Formula: C11H7Br3N2 MolecularWeight: 406.89868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(NC=C2C#N)C(Br)(Br)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(NC=C2C#N)C(Br)(Br)Br

InChI

InChI=1S/C11H7Br3N2/c12-11(13,14)10-9-4-2-1-3-8(9)7(5-15)6-16-10/h1-4,6,10,16H