3-bromanyl-2,6-di(butan-2-yl)-4-(cyanomethyl)benzenecarbonitrile

Systemtic Name: 3-bromanyl-2,6-di(butan-2-yl)-4-(cyanomethyl)benzenecarbonitrile Openeye Name: 3-bromo-4-(cyanomethyl)-2,6-disec-butyl-benzonitrile CAS Name: 3-bromo-2,6-di(butan-2-yl)-4-(cyanomethyl)benzonitrile IUPAC Name: 3-bromo-2,6-di(butan-2-yl)-4-(cyanomethyl)benzonitrile Traditional Name: 3-bromo-4-(cyanomethyl)-2,6-disec-butyl-benzonitrile Formula: C17H21BrN2 MolecularWeight: 333.26604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C(=C1C#N)C(C)CC)Br)CC#N

Isomeric SMILES

CCC(C)C1=CC(=C(C(=C1C#N)C(C)CC)Br)CC#N

InChI

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