2,4-di(butan-2-yl)-5-(cyanomethyl)benzenecarbonitrile

Systemtic Name: 2,4-di(butan-2-yl)-5-(cyanomethyl)benzenecarbonitrile Openeye Name: 5-(cyanomethyl)-2,4-disec-butyl-benzonitrile CAS Name: 2,4-di(butan-2-yl)-5-(cyanomethyl)benzonitrile IUPAC Name: 2,4-di(butan-2-yl)-5-(cyanomethyl)benzonitrile Traditional Name: 5-(cyanomethyl)-2,4-disec-butyl-benzonitrile Formula: C17H22N2 MolecularWeight: 254.36998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2/c1-5-12(3)16-10-17(13(4)6-2)15(11-19)9-14(16)7-8-18/h9-10,12-13H,5-7H2,1-4H3