(Z)-3-[3-(4-butoxy-3-fluoranyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (Z)-3-[3-(4-butoxy-3-fluoranyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Openeye Name: (Z)-3-[3-(4-butoxy-3-fluoro-phenyl)-1-phenyl-pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile CAS Name: (Z)-3-[3-(4-butoxy-3-fluorophenyl)-1-phenyl-4-pyrazolyl]-2-(1-methyl-2-benzimidazolyl)-2-propenenitrile IUPAC Name: (Z)-3-[3-(4-butoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Traditional Name: (Z)-3-[3-(4-butoxy-3-fluoro-phenyl)-1-phenyl-pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)acrylonitrile Formula: C30H26FN5O MolecularWeight: 491.558743

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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=C4N3C)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=C4N3C)C5=CC=CC=C5)F

InChI

InChI=1S/C30H26FN5O/c1-3-4-16-37-28-15-14-21(18-25(28)31)29-23(20-36(34-29)24-10-6-5-7-11-24)17-22(19-32)30-33-26-12-8-9-13-27(26)35(30)2/h5-15,17-18,20H,3-4,16H2,1-2H3/b22-17-