3-[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-fluorophenyl)prop-2-enenitrile

Systemtic Name: 3-[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-fluorophenyl)prop-2-enenitrile Openeye Name: 3-[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-fluorophenyl)prop-2-enenitrile CAS Name: 3-[1-(4-tert-butylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-(2-fluorophenyl)-2-propenenitrile IUPAC Name: 3-[1-(4-tert-butylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(2-fluorophenyl)prop-2-enenitrile Traditional Name: 3-[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-fluorophenyl)acrylonitrile Formula: C25H25FN2 MolecularWeight: 372.477803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)(C)C)C)C=C(C#N)C3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)(C)C)C)C=C(C#N)C3=CC=CC=C3F

InChI

InChI=1S/C25H25FN2/c1-17-14-19(15-20(16-27)23-8-6-7-9-24(23)26)18(2)28(17)22-12-10-21(11-13-22)25(3,4)5/h6-15H,1-5H3