methyl 1-[(4-cyano-2-fluoranyl-phenyl)methyl]-4-(4-cyanophenyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: methyl 1-[(4-cyano-2-fluoranyl-phenyl)methyl]-4-(4-cyanophenyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: methyl 1-[(4-cyano-2-fluoro-phenyl)methyl]-4-(4-cyanophenyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[(4-cyano-2-fluorophenyl)methyl]-4-(4-cyanophenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-cyano-2-fluorophenyl)methyl]-4-(4-cyanophenyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(4-cyano-2-fluoro-benzyl)-4-(4-cyanophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid methyl ester Formula: C23H18FN3O2 MolecularWeight: 387.406323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18FN3O2/c1-14-21(18-7-4-16(11-25)5-8-18)22(23(28)29-3)15(2)27(14)13-19-9-6-17(12-26)10-20(19)24/h4-10H,13H2,1-3H3