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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(N=CC(C2=C1)C#N)C(Br)(Br)Br

Isomeric SMILES

C1=CC=C2C(C=N[C@@H](C2=C1)C(Br)(Br)Br)C#N

InChI

InChI=1S/C11H7Br3N2/c12-11(13,14)10-9-4-2-1-3-8(9)7(5-15)6-16-10/h1-4,6-7,10H/t7?,10-/m0/s1