ethyl 4-(benzotriazol-1-ylmethyl)-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate

Systemtic Name: ethyl 4-(benzotriazol-1-ylmethyl)-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate Openeye Name: ethyl 4-(benzotriazol-1-ylmethyl)-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate CAS Name: 4-(1-benzotriazolylmethyl)-1-(4-fluorophenyl)-5-pyrrolo[3,2-b]pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(benzotriazol-1-ylmethyl)-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate Traditional Name: 4-(benzotriazol-1-ylmethyl)-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylic acid ethyl ester Formula: C22H18FN5O2 MolecularWeight: 403.409023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1CN3C4=CC=CC=C4N=N3)C=CN2C5=CC=C(C=C5)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1CN3C4=CC=CC=C4N=N3)C=CN2C5=CC=C(C=C5)F

InChI

InChI=1S/C22H18FN5O2/c1-2-30-22(29)21-13-20-19(11-12-26(20)16-9-7-15(23)8-10-16)27(21)14-28-18-6-4-3-5-17(18)24-25-28/h3-13H,2,14H2,1H3