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

Systemtic Name: 4-cyano-N-[(E)-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]methylideneamino]-2-fluoranyl-benzamide Openeye Name: N-[(E)-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-4-cyano-2-fluoro-benzamide CAS Name: 4-cyano-N-[(E)-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]methylideneamino]-2-fluorobenzamide IUPAC Name: N-[(E)-(1-benzyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-4-cyano-2-fluorobenzamide Traditional Name: N-[(E)-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-4-cyano-2-fluoro-benzamide Formula: C22H19FN4O MolecularWeight: 374.410863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C=NNC(=O)C3=C(C=C(C=C3)C#N)F

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)/C=N/NC(=O)C3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C22H19FN4O/c1-15-10-19(16(2)27(15)14-17-6-4-3-5-7-17)13-25-26-22(28)20-9-8-18(12-24)11-21(20)23/h3-11,13H,14H2,1-2H3,(H,26,28)/b25-13+