3-(cyanomethyl)-5-(2,2-dimethylpropyl)-2-ethyl-benzenecarbonitrile

Systemtic Name: 3-(cyanomethyl)-5-(2,2-dimethylpropyl)-2-ethyl-benzenecarbonitrile Openeye Name: 3-(cyanomethyl)-5-(2,2-dimethylpropyl)-2-ethyl-benzonitrile CAS Name: 3-(cyanomethyl)-5-(2,2-dimethylpropyl)-2-ethylbenzonitrile IUPAC Name: 3-(cyanomethyl)-5-(2,2-dimethylpropyl)-2-ethylbenzonitrile Traditional Name: 3-(cyanomethyl)-2-ethyl-5-neopentyl-benzonitrile Formula: C16H20N2 MolecularWeight: 240.3434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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