(E)-2-(1-methylbenzimidazol-2-yl)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(1-methylbenzimidazol-2-yl)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-2-(1-methylbenzimidazol-2-yl)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-(1-methyl-2-benzimidazolyl)-3-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-(1-methylbenzimidazol-2-yl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: (E)-2-(1-methylbenzimidazol-2-yl)-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]acrylonitrile Formula: C27H21N5 MolecularWeight: 415.48914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4N3C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C3=NC4=CC=CC=C4N3C)C5=CC=CC=C5

InChI

InChI=1S/C27H21N5/c1-19-12-14-20(15-13-19)26-22(18-32(30-26)23-8-4-3-5-9-23)16-21(17-28)27-29-24-10-6-7-11-25(24)31(27)2/h3-16,18H,1-2H3/b21-16+