methyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate

Systemtic Name: methyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate Openeye Name: methyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate CAS Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(4-fluorophenyl)-5-pyrrolo[3,2-b]pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate Traditional Name: 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylic acid methyl ester Formula: C25H22FN3O3 MolecularWeight: 431.458883

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(N1CC(=O)N3CCC4=CC=CC=C4C3)C=CN2C5=CC=C(C=C5)F

Isomeric SMILES

COC(=O)C1=CC2=C(N1CC(=O)N3CCC4=CC=CC=C4C3)C=CN2C5=CC=C(C=C5)F

InChI

InChI=1S/C25H22FN3O3/c1-32-25(31)23-14-22-21(11-13-28(22)20-8-6-19(26)7-9-20)29(23)16-24(30)27-12-10-17-4-2-3-5-18(17)15-27/h2-9,11,13-14H,10,12,15-16H2,1H3