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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C(=C1)C#N)CC(C)C)CC#N

Isomeric SMILES

CCCC1=C(C=C(C(=C1)C#N)CC(C)C)CC#N

InChI

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