2-[5-methyl-3-(4-octylphenyl)imidazol-4-yl]ethanenitrile

Systemtic Name: 2-[5-methyl-3-(4-octylphenyl)imidazol-4-yl]ethanenitrile Openeye Name: 2-[5-methyl-3-(4-octylphenyl)imidazol-4-yl]acetonitrile CAS Name: 2-[5-methyl-3-(4-octylphenyl)-4-imidazolyl]acetonitrile IUPAC Name: 2-[5-methyl-3-(4-octylphenyl)imidazol-4-yl]acetonitrile Traditional Name: 2-[5-methyl-3-(4-octylphenyl)imidazol-4-yl]acetonitrile Formula: C20H27N3 MolecularWeight: 309.44848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)N2C=NC(=C2CC#N)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)N2C=NC(=C2CC#N)C

InChI

InChI=1S/C20H27N3/c1-3-4-5-6-7-8-9-18-10-12-19(13-11-18)23-16-22-17(2)20(23)14-15-21/h10-13,16H,3-9,14H2,1-2H3