2-[2-butyl-3-chloranyl-1-(phenylmethyl)-2H-imidazol-4-yl]ethanenitrile

Systemtic Name: 2-[2-butyl-3-chloranyl-1-(phenylmethyl)-2H-imidazol-4-yl]ethanenitrile Openeye Name: 2-(1-benzyl-2-butyl-3-chloro-2H-imidazol-4-yl)acetonitrile CAS Name: 2-[2-butyl-3-chloro-1-(phenylmethyl)-2H-imidazol-4-yl]acetonitrile IUPAC Name: 2-(1-benzyl-2-butyl-3-chloro-2H-imidazol-4-yl)acetonitrile Traditional Name: 2-(1-benzyl-2-butyl-3-chloro-4-imidazolin-4-yl)acetonitrile Formula: C16H20ClN3 MolecularWeight: 289.8031

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C=C(N1Cl)CC#N)CC2=CC=CC=C2

Isomeric SMILES

CCCCC1N(C=C(N1Cl)CC#N)CC2=CC=CC=C2

InChI

InChI=1S/C16H20ClN3/c1-2-3-9-16-19(12-14-7-5-4-6-8-14)13-15(10-11-18)20(16)17/h4-8,13,16H,2-3,9-10,12H2,1H3