2-(4-bromophenyl)-2-(imidazol-1-ylmethyl)pentanenitrile

Systemtic Name: 2-(4-bromophenyl)-2-(imidazol-1-ylmethyl)pentanenitrile Openeye Name: 2-(4-bromophenyl)-2-(imidazol-1-ylmethyl)pentanenitrile CAS Name: 2-(4-bromophenyl)-2-(1-imidazolylmethyl)pentanenitrile IUPAC Name: 2-(4-bromophenyl)-2-(imidazol-1-ylmethyl)pentanenitrile Traditional Name: 2-(4-bromophenyl)-2-(imidazol-1-ylmethyl)valeronitrile Formula: C15H16BrN3 MolecularWeight: 318.21164

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CN1C=CN=C1)(C#N)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCC(CN1C=CN=C1)(C#N)C2=CC=C(C=C2)Br

InChI

InChI=1S/C15H16BrN3/c1-2-7-15(10-17,11-19-9-8-18-12-19)13-3-5-14(16)6-4-13/h3-6,8-9,12H,2,7,11H2,1H3