(E)-3-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-2-(1-methyl-2-benzimidazolyl)-2-propenenitrile IUPAC Name: (E)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-2-(1-methylbenzimidazol-2-yl)acrylonitrile Formula: C23H21N5 MolecularWeight: 367.44634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C=C(C#N)C3=NC4=CC=CC=C4N3C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)/C=C(\C#N)/C3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C23H21N5/c1-16-20(17(2)28(26-16)15-18-9-5-4-6-10-18)13-19(14-24)23-25-21-11-7-8-12-22(21)27(23)3/h4-13H,15H2,1-3H3/b19-13+