2-[2-butyl-5-chloranyl-1-(phenylmethyl)imidazol-4-yl]ethanenitrile

Systemtic Name: 2-[2-butyl-5-chloranyl-1-(phenylmethyl)imidazol-4-yl]ethanenitrile Openeye Name: 2-(1-benzyl-2-butyl-5-chloro-imidazol-4-yl)acetonitrile CAS Name: 2-[2-butyl-5-chloro-1-(phenylmethyl)-4-imidazolyl]acetonitrile IUPAC Name: 2-(1-benzyl-2-butyl-5-chloroimidazol-4-yl)acetonitrile Traditional Name: 2-(1-benzyl-2-butyl-5-chloro-imidazol-4-yl)acetonitrile Formula: C16H18ClN3 MolecularWeight: 287.78722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=CC=C2)Cl)CC#N

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=CC=C2)Cl)CC#N

InChI

InChI=1S/C16H18ClN3/c1-2-3-9-15-19-14(10-11-18)16(17)20(15)12-13-7-5-4-6-8-13/h4-8H,2-3,9-10,12H2,1H3