3-bromanyl-4-(cyanomethyl)-2,5-bis(2-methylpropyl)benzenecarbonitrile

Systemtic Name: 3-bromanyl-4-(cyanomethyl)-2,5-bis(2-methylpropyl)benzenecarbonitrile Openeye Name: 3-bromo-4-(cyanomethyl)-2,5-diisobutyl-benzonitrile CAS Name: 3-bromo-4-(cyanomethyl)-2,5-bis(2-methylpropyl)benzonitrile IUPAC Name: 3-bromo-4-(cyanomethyl)-2,5-bis(2-methylpropyl)benzonitrile Traditional Name: 3-bromo-4-(cyanomethyl)-2,5-diisobutyl-benzonitrile Formula: C17H21BrN2 MolecularWeight: 333.26604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=C(C(=C1)C#N)CC(C)C)Br)CC#N

Isomeric SMILES

CC(C)CC1=C(C(=C(C(=C1)C#N)CC(C)C)Br)CC#N

InChI

InChI=1S/C17H21BrN2/c1-11(2)7-13-9-14(10-20)16(8-12(3)4)17(18)15(13)5-6-19/h9,11-12H,5,7-8H2,1-4H3