(E)-2-cyano-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]-N-phenethyl-prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]-N-phenethyl-prop-2-enamide Openeye Name: (E)-2-cyano-3-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]-N-phenethyl-prop-2-enamide CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-propan-2-yl-3-pyrazolyl)-3-pyrrolyl]-N-phenethyl-2-propenamide IUPAC Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]-N-phenethylprop-2-enamide Traditional Name: (E)-2-cyano-3-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]-N-phenethyl-acrylamide Formula: C24H27N5O MolecularWeight: 401.50408

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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)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=NN2C(C)C)C)/C=C(\C#N)/C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C24H27N5O/c1-17(2)29-23(11-13-27-29)28-18(3)14-21(19(28)4)15-22(16-25)24(30)26-12-10-20-8-6-5-7-9-20/h5-9,11,13-15,17H,10,12H2,1-4H3,(H,26,30)/b22-15+