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

Systemtic Name: 4-cyano-N-[(E)-[2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrol-3-yl]methylideneamino]-2-fluoranyl-benzamide Openeye Name: N-[(E)-[1-(4-benzyloxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-4-cyano-2-fluoro-benzamide CAS Name: 4-cyano-N-[(E)-[2,5-dimethyl-1-(4-phenylmethoxyphenyl)-3-pyrrolyl]methylideneamino]-2-fluorobenzamide IUPAC Name: 4-cyano-N-[(E)-[2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrol-3-yl]methylideneamino]-2-fluorobenzamide Traditional Name: N-[(E)-[1-(4-benzoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-4-cyano-2-fluoro-benzamide Formula: C28H23FN4O2 MolecularWeight: 466.506223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3)C)C=NNC(=O)C4=C(C=C(C=C4)C#N)F

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3)C)/C=N/NC(=O)C4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C28H23FN4O2/c1-19-14-23(17-31-32-28(34)26-13-8-22(16-30)15-27(26)29)20(2)33(19)24-9-11-25(12-10-24)35-18-21-6-4-3-5-7-21/h3-15,17H,18H2,1-2H3,(H,32,34)/b31-17+