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

Systemtic Name: methyl 4-(benzotriazol-1-ylmethyl)-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H16FN5O2 MolecularWeight: 389.382443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16FN5O2/c1-29-21(28)20-12-19-18(10-11-25(19)15-8-6-14(22)7-9-15)26(20)13-27-17-5-3-2-4-16(17)23-24-27/h2-12H,13H2,1H3