(E)-3-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-(4-fluorophenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-(4-fluorophenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-2-(4-fluorobenzoyl)-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enenitrile CAS Name: (E)-3-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-[(4-fluorophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(4-fluorobenzoyl)prop-2-enenitrile Traditional Name: (E)-2-(4-fluorobenzoyl)-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)acrylonitrile Formula: C19H19FN2O MolecularWeight: 310.365363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C=C(C#N)C(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)/C=C(\C#N)/C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C19H19FN2O/c1-12(2)22-13(3)9-16(14(22)4)10-17(11-21)19(23)15-5-7-18(20)8-6-15/h5-10,12H,1-4H3/b17-10+