3-(cyanomethyl)-6-(2-methylpropyl)-2-propyl-benzenecarbonitrile

Systemtic Name: 3-(cyanomethyl)-6-(2-methylpropyl)-2-propyl-benzenecarbonitrile Openeye Name: 3-(cyanomethyl)-6-isobutyl-2-propyl-benzonitrile CAS Name: 3-(cyanomethyl)-6-(2-methylpropyl)-2-propylbenzonitrile IUPAC Name: 3-(cyanomethyl)-6-(2-methylpropyl)-2-propylbenzonitrile Traditional Name: 3-(cyanomethyl)-6-isobutyl-2-propyl-benzonitrile Formula: C16H20N2 MolecularWeight: 240.3434

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1C#N)CC(C)C)CC#N

Isomeric SMILES

CCCC1=C(C=CC(=C1C#N)CC(C)C)CC#N

InChI

InChI=1S/C16H20N2/c1-4-5-15-13(8-9-17)6-7-14(10-12(2)3)16(15)11-18/h6-7,12H,4-5,8,10H2,1-3H3