methyl 4-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate

Systemtic Name: methyl 4-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate Openeye Name: methyl 4-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate CAS Name: 4-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)-5-pyrrolo[3,2-b]pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate Traditional Name: 4-(4-cyanobenzyl)-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylic acid methyl ester Formula: C22H16FN3O2 MolecularWeight: 373.379743

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(N1CC3=CC=C(C=C3)C#N)C=CN2C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CC2=C(N1CC3=CC=C(C=C3)C#N)C=CN2C4=CC=C(C=C4)F

InChI

InChI=1S/C22H16FN3O2/c1-28-22(27)21-12-20-19(10-11-25(20)18-8-6-17(23)7-9-18)26(21)14-16-4-2-15(13-24)3-5-16/h2-12H,14H2,1H3