5-(cyanomethyl)-2-(2-methylpropyl)-4-propan-2-yl-benzenecarbonitrile

Systemtic Name: 5-(cyanomethyl)-2-(2-methylpropyl)-4-propan-2-yl-benzenecarbonitrile Openeye Name: 5-(cyanomethyl)-2-isobutyl-4-isopropyl-benzonitrile CAS Name: 5-(cyanomethyl)-2-(2-methylpropyl)-4-propan-2-ylbenzonitrile IUPAC Name: 5-(cyanomethyl)-2-(2-methylpropyl)-4-propan-2-ylbenzonitrile Traditional Name: 5-(cyanomethyl)-2-isobutyl-4-isopropyl-benzonitrile Formula: C16H20N2 MolecularWeight: 240.3434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=C(C=C1C#N)CC#N)C(C)C

Isomeric SMILES

CC(C)CC1=CC(=C(C=C1C#N)CC#N)C(C)C

InChI

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