5-butan-2-yl-3-(cyanomethyl)-2-ethyl-benzenecarbonitrile

Systemtic Name: 5-butan-2-yl-3-(cyanomethyl)-2-ethyl-benzenecarbonitrile Openeye Name: 3-(cyanomethyl)-2-ethyl-5-sec-butyl-benzonitrile CAS Name: 5-butan-2-yl-3-(cyanomethyl)-2-ethylbenzonitrile IUPAC Name: 5-butan-2-yl-3-(cyanomethyl)-2-ethylbenzonitrile Traditional Name: 3-(cyanomethyl)-2-ethyl-5-sec-butyl-benzonitrile Formula: C15H18N2 MolecularWeight: 226.31682

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1C#N)C(C)CC)CC#N

Isomeric SMILES

CCC1=C(C=C(C=C1C#N)C(C)CC)CC#N

InChI

InChI=1S/C15H18N2/c1-4-11(3)13-8-12(6-7-16)15(5-2)14(9-13)10-17/h8-9,11H,4-6H2,1-3H3