(E)-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]-2-(phenylcarbonyl)prop-2-enenitrile

Systemtic Name: (E)-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-[2,5-dimethyl-1-(2-propan-2-yl-3-pyrazolyl)-3-pyrrolyl]-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]prop-2-enenitrile Traditional Name: (E)-2-benzoyl-3-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]acrylonitrile Formula: C22H22N4O MolecularWeight: 358.43628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=NN2C(C)C)C)C=C(C#N)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=NN2C(C)C)C)/C=C(\C#N)/C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H22N4O/c1-15(2)26-21(10-11-24-26)25-16(3)12-19(17(25)4)13-20(14-23)22(27)18-8-6-5-7-9-18/h5-13,15H,1-4H3/b20-13+