ethanoic acid; (Z)-3-[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: ethanoic acid; (Z)-3-[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Openeye Name: acetic acid; (Z)-3-[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile CAS Name: acetic acid; (Z)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenyl-4-pyrazolyl]-2-(1-methyl-2-benzimidazolyl)-2-propenenitrile IUPAC Name: acetic acid; (Z)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Traditional Name: acetic acid; (Z)-3-[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-(1-methylbenzimidazol-2-yl)acrylonitrile Formula: C31H29N5O3 MolecularWeight: 519.59366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4N3C)C5=CC=CC=C5)C.CC(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C3=NC4=CC=CC=C4N3C)C5=CC=CC=C5)C.CC(=O)O

InChI

InChI=1S/C29H25N5O.C2H4O2/c1-4-35-27-15-14-21(16-20(27)2)28-23(19-34(32-28)24-10-6-5-7-11-24)17-22(18-30)29-31-25-12-8-9-13-26(25)33(29)3;1-2(3)4/h5-17,19H,4H2,1-3H3;1H3,(H,3,4)/b22-17-;