3,3-dimethyl-4H-isoquinoline-1-carbonitrile

Systemtic Name: 3,3-dimethyl-4H-isoquinoline-1-carbonitrile Openeye Name: 3,3-dimethyl-4H-isoquinoline-1-carbonitrile CAS Name: 3,3-dimethyl-4H-isoquinoline-1-carbonitrile IUPAC Name: 3,3-dimethyl-4H-isoquinoline-1-carbonitrile Traditional Name: 3,3-dimethyl-4H-isoquinoline-1-carbonitrile Formula: C12H12N2 MolecularWeight: 184.23708

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=N1)C#N)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=N1)C#N)C

InChI

InChI=1S/C12H12N2/c1-12(2)7-9-5-3-4-6-10(9)11(8-13)14-12/h3-6H,7H2,1-2H3