N-[(E)-[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-4-cyano-2-fluoranyl-benzamide

Systemtic Name: N-[(E)-[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-4-cyano-2-fluoranyl-benzamide Openeye Name: N-[(E)-[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-4-cyano-2-fluoro-benzamide CAS Name: N-[(E)-[1-(4-tert-butylphenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-4-cyano-2-fluorobenzamide IUPAC Name: N-[(E)-[1-(4-tert-butylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-cyano-2-fluorobenzamide Traditional Name: N-[(E)-[1-(4-tert-butylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-4-cyano-2-fluoro-benzamide Formula: C25H25FN4O MolecularWeight: 416.490603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)(C)C)C)C=NNC(=O)C3=C(C=C(C=C3)C#N)F

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)(C)C)C)/C=N/NC(=O)C3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C25H25FN4O/c1-16-12-19(15-28-29-24(31)22-11-6-18(14-27)13-23(22)26)17(2)30(16)21-9-7-20(8-10-21)25(3,4)5/h6-13,15H,1-5H3,(H,29,31)/b28-15+