2-[4-[[2-butyl-4-chloranyl-5-(chloromethyl)imidazol-1-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[2-butyl-4-chloranyl-5-(chloromethyl)imidazol-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[2-butyl-4-chloro-5-(chloromethyl)imidazol-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[2-butyl-4-chloro-5-(chloromethyl)-1-imidazolyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[2-butyl-4-chloro-5-(chloromethyl)imidazol-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[2-butyl-4-chloro-5-(chloromethyl)imidazol-1-yl]methyl]phenyl]benzonitrile Formula: C22H21Cl2N3 MolecularWeight: 398.32824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CCl)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CCl)Cl

InChI

InChI=1S/C22H21Cl2N3/c1-2-3-8-21-26-22(24)20(13-23)27(21)15-16-9-11-17(12-10-16)19-7-5-4-6-18(19)14-25/h4-7,9-12H,2-3,8,13,15H2,1H3