4-cyano-N-[(E)-[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylideneamino]-2-fluoranyl-benzamide

Systemtic Name: 4-cyano-N-[(E)-[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylideneamino]-2-fluoranyl-benzamide Openeye Name: 4-cyano-N-[(E)-[1-(2,4-dimethylphenyl)pyrrol-2-yl]methyleneamino]-2-fluoro-benzamide CAS Name: 4-cyano-N-[(E)-[1-(2,4-dimethylphenyl)-2-pyrrolyl]methylideneamino]-2-fluorobenzamide IUPAC Name: 4-cyano-N-[(E)-[1-(2,4-dimethylphenyl)pyrrol-2-yl]methylideneamino]-2-fluorobenzamide Traditional Name: 4-cyano-N-[(E)-[1-(2,4-dimethylphenyl)pyrrol-2-yl]methyleneamino]-2-fluoro-benzamide Formula: C21H17FN4O MolecularWeight: 360.384283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CC=C2C=NNC(=O)C3=C(C=C(C=C3)C#N)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CC=C2/C=N/NC(=O)C3=C(C=C(C=C3)C#N)F)C

InChI

InChI=1S/C21H17FN4O/c1-14-5-8-20(15(2)10-14)26-9-3-4-17(26)13-24-25-21(27)18-7-6-16(12-23)11-19(18)22/h3-11,13H,1-2H3,(H,25,27)/b24-13+