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

Systemtic Name: (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-(1-methyl-2-benzimidazolyl)-2-propenenitrile IUPAC Name: (E)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)acrylonitrile Formula: C27H21N5O MolecularWeight: 431.48854

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(=CC3=CN(N=C3C4=CC=C(C=C4)OC)C5=CC=CC=C5)C#N

Isomeric SMILES

CN1C2=CC=CC=C2N=C1/C(=C/C3=CN(N=C3C4=CC=C(C=C4)OC)C5=CC=CC=C5)/C#N

InChI

InChI=1S/C27H21N5O/c1-31-25-11-7-6-10-24(25)29-27(31)20(17-28)16-21-18-32(22-8-4-3-5-9-22)30-26(21)19-12-14-23(33-2)15-13-19/h3-16,18H,1-2H3/b20-16+