4,4-dimethyl-1-(trideuteriomethyl)-3H-isoquinoline-7-carbonitrile

Systemtic Name: 4,4-dimethyl-1-(trideuteriomethyl)-3H-isoquinoline-7-carbonitrile Openeye Name: 4,4-dimethyl-1-(trideuteriomethyl)-3H-isoquinoline-7-carbonitrile CAS Name: 4,4-dimethyl-1-(trideuteriomethyl)-3H-isoquinoline-7-carbonitrile IUPAC Name: 4,4-dimethyl-1-(trideuteriomethyl)-3H-isoquinoline-7-carbonitrile Traditional Name: 4,4-dimethyl-1-(trideuteriomethyl)-3H-isoquinoline-7-carbonitrile Formula: C13H14N2 MolecularWeight: 201.282145

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NCC(C2=C1C=C(C=C2)C#N)(C)C

Isomeric SMILES

[2H]C([2H])([2H])C1=NCC(C2=C1C=C(C=C2)C#N)(C)C

InChI

InChI=1S/C13H14N2/c1-9-11-6-10(7-14)4-5-12(11)13(2,3)8-15-9/h4-6H,8H2,1-3H3/i1D3