5-tert-butyl-3-(cyanomethyl)-2-propan-2-yl-benzenecarbonitrile

Systemtic Name: 5-tert-butyl-3-(cyanomethyl)-2-propan-2-yl-benzenecarbonitrile Openeye Name: 5-tert-butyl-3-(cyanomethyl)-2-isopropyl-benzonitrile CAS Name: 5-tert-butyl-3-(cyanomethyl)-2-propan-2-ylbenzonitrile IUPAC Name: 5-tert-butyl-3-(cyanomethyl)-2-propan-2-ylbenzonitrile Traditional Name: 5-tert-butyl-3-(cyanomethyl)-2-isopropyl-benzonitrile Formula: C16H20N2 MolecularWeight: 240.3434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1C#N)C(C)(C)C)CC#N

Isomeric SMILES

CC(C)C1=C(C=C(C=C1C#N)C(C)(C)C)CC#N

InChI

InChI=1S/C16H20N2/c1-11(2)15-12(6-7-17)8-14(16(3,4)5)9-13(15)10-18/h8-9,11H,6H2,1-5H3