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

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-(4-butoxy-3-fluoranyl-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-(4-butoxy-3-fluoro-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-(4-butoxy-3-fluorophenyl)-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-(4-butoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-(4-butoxy-3-fluoro-phenyl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C29H24FN5O MolecularWeight: 477.532163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4N3)C5=CC=CC=C5)F

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C3=NC4=CC=CC=C4N3)C5=CC=CC=C5)F

InChI

InChI=1S/C29H24FN5O/c1-2-3-15-36-27-14-13-20(17-24(27)30)28-22(19-35(34-28)23-9-5-4-6-10-23)16-21(18-31)29-32-25-11-7-8-12-26(25)33-29/h4-14,16-17,19H,2-3,15H2,1H3,(H,32,33)/b21-16+