3-butan-2-yl-4-(cyanomethyl)-5-propyl-benzenecarbonitrile

Systemtic Name: 3-butan-2-yl-4-(cyanomethyl)-5-propyl-benzenecarbonitrile Openeye Name: 4-(cyanomethyl)-3-propyl-5-sec-butyl-benzonitrile CAS Name: 3-butan-2-yl-4-(cyanomethyl)-5-propylbenzonitrile IUPAC Name: 3-butan-2-yl-4-(cyanomethyl)-5-propylbenzonitrile Traditional Name: 4-(cyanomethyl)-3-propyl-5-sec-butyl-benzonitrile Formula: C16H20N2 MolecularWeight: 240.3434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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