3-(2-chloranyl-4-fluoranyl-phenyl)-4-[1-(3-oxidanylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione

Systemtic Name: 3-(2-chloranyl-4-fluoranyl-phenyl)-4-[1-(3-oxidanylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione Openeye Name: 3-(2-chloro-4-fluoro-phenyl)-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione CAS Name: 3-(2-chloro-4-fluorophenyl)-4-[1-(3-hydroxypropyl)-3-pyrrolo[2,3-b]pyridinyl]pyrrole-2,5-dione IUPAC Name: 3-(2-chloro-4-fluorophenyl)-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione Traditional Name: 3-(2-chloro-4-fluoro-phenyl)-4-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-3-pyrroline-2,5-quinone Formula: C20H15ClFN3O3 MolecularWeight: 399.802803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(N=C1)N(C=C2C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)F)Cl)CCCO

Isomeric SMILES

C1=CC2=C(N=C1)N(C=C2C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)F)Cl)CCCO

InChI

InChI=1S/C20H15ClFN3O3/c21-15-9-11(22)4-5-13(15)16-17(20(28)24-19(16)27)14-10-25(7-2-8-26)18-12(14)3-1-6-23-18/h1,3-6,9-10,26H,2,7-8H2,(H,24,27,28)