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

Systemtic Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-N-benzyl-2-cyano-3-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enamide CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-propan-2-yl-3-pyrazolyl)-3-pyrrolyl]-N-(phenylmethyl)-2-propenamide IUPAC Name: (E)-N-benzyl-2-cyano-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]prop-2-enamide Traditional Name: (E)-N-benzyl-2-cyano-3-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]acrylamide Formula: C23H25N5O MolecularWeight: 387.4775

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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)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=NN2C(C)C)C)/C=C(\C#N)/C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H25N5O/c1-16(2)28-22(10-11-26-28)27-17(3)12-20(18(27)4)13-21(14-24)23(29)25-15-19-8-6-5-7-9-19/h5-13,16H,15H2,1-4H3,(H,25,29)/b21-13+