1-[[2-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]oxy-3,5-bis(fluoranyl)-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]amino]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[[2-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]oxy-3,5-bis(fluoranyl)-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]amino]pyrrolidine-2-carboxylic acid Openeye Name: 1-[[2-[3-(diaminomethylene)-6-oxo-cyclohexa-1,4-dien-1-yl]oxy-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridyl]amino]pyrrolidine-2-carboxylic acid CAS Name: 1-[[2-[[3-(diaminomethylidene)-6-oxo-1-cyclohexa-1,4-dienyl]oxy]-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinyl]amino]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[[2-[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]oxy-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]amino]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[2-[3-(diaminomethylene)-6-keto-cyclohexa-1,4-dien-1-yl]oxy-3,5-difluoro-6-[3-(1-methyl-2-imidazolin-2-yl)phenoxy]-4-pyridyl]amino]proline Formula: C27H27F2N7O5 MolecularWeight: 567.543986

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C1C2=CC(=CC=C2)OC3=NC(=C(C(=C3F)NN4CCCC4C(=O)O)F)OC5=CC(=C(N)N)C=CC5=O

Isomeric SMILES

CN1CCN=C1C2=CC(=CC=C2)OC3=NC(=C(C(=C3F)NN4CCCC4C(=O)O)F)OC5=CC(=C(N)N)C=CC5=O

InChI

InChI=1S/C27H27F2N7O5/c1-35-11-9-32-24(35)15-4-2-5-16(12-15)40-25-20(28)22(34-36-10-3-6-17(36)27(38)39)21(29)26(33-25)41-19-13-14(23(30)31)7-8-18(19)37/h2,4-5,7-8,12-13,17H,3,6,9-11,30-31H2,1H3,(H,33,34)(H,38,39)