3-[3-(4-bromophenyl)-5-[2-(trifluoromethyl)benzimidazol-1-yl]pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3-(4-bromophenyl)-5-[2-(trifluoromethyl)benzimidazol-1-yl]pyrazol-1-yl]propanenitrile Openeye Name: 3-[3-(4-bromophenyl)-5-[2-(trifluoromethyl)benzimidazol-1-yl]pyrazol-1-yl]propanenitrile CAS Name: 3-[3-(4-bromophenyl)-5-[2-(trifluoromethyl)-1-benzimidazolyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3-(4-bromophenyl)-5-[2-(trifluoromethyl)benzimidazol-1-yl]pyrazol-1-yl]propanenitrile Traditional Name: 3-[3-(4-bromophenyl)-5-[2-(trifluoromethyl)benzimidazol-1-yl]pyrazol-1-yl]propionitrile Formula: C20H13BrF3N5 MolecularWeight: 460.24993

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2C3=CC(=NN3CCC#N)C4=CC=C(C=C4)Br)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2C3=CC(=NN3CCC#N)C4=CC=C(C=C4)Br)C(F)(F)F

InChI

InChI=1S/C20H13BrF3N5/c21-14-8-6-13(7-9-14)16-12-18(28(27-16)11-3-10-25)29-17-5-2-1-4-15(17)26-19(29)20(22,23)24/h1-2,4-9,12H,3,11H2