3,6-dimethyl-2-(phenylmethyl)benzenecarbonitrile

Systemtic Name: 3,6-dimethyl-2-(phenylmethyl)benzenecarbonitrile Openeye Name: 2-benzyl-3,6-dimethyl-benzonitrile CAS Name: 3,6-dimethyl-2-(phenylmethyl)benzonitrile IUPAC Name: 2-benzyl-3,6-dimethylbenzonitrile Traditional Name: 2-benzyl-3,6-dimethyl-benzonitrile Formula: C16H15N MolecularWeight: 221.297

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)C#N)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=C(C=C1)C)C#N)CC2=CC=CC=C2

InChI

InChI=1S/C16H15N/c1-12-8-9-13(2)16(11-17)15(12)10-14-6-4-3-5-7-14/h3-9H,10H2,1-2H3