4-(cyanomethyl)-5-(2-methylpropyl)-2-propyl-benzenecarbonitrile

Systemtic Name: 4-(cyanomethyl)-5-(2-methylpropyl)-2-propyl-benzenecarbonitrile Openeye Name: 4-(cyanomethyl)-5-isobutyl-2-propyl-benzonitrile CAS Name: 4-(cyanomethyl)-5-(2-methylpropyl)-2-propylbenzonitrile IUPAC Name: 4-(cyanomethyl)-5-(2-methylpropyl)-2-propylbenzonitrile Traditional Name: 4-(cyanomethyl)-5-isobutyl-2-propyl-benzonitrile Formula: C16H20N2 MolecularWeight: 240.3434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2/c1-4-5-13-9-14(6-7-17)15(8-12(2)3)10-16(13)11-18/h9-10,12H,4-6,8H2,1-3H3