(E)-2-(1H-benzimidazol-2-yl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C27H21N5O2 MolecularWeight: 447.48794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4N3)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C3=NC4=CC=CC=C4N3)C5=CC=CC=C5)OC

InChI

InChI=1S/C27H21N5O2/c1-33-24-13-12-18(15-25(24)34-2)26-20(17-32(31-26)21-8-4-3-5-9-21)14-19(16-28)27-29-22-10-6-7-11-23(22)30-27/h3-15,17H,1-2H3,(H,29,30)/b19-14+