3-[[2-oxidanyl-2-[3,4,5-tris(fluoranyl)phenyl]ethyl]amino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[2-oxidanyl-2-[3,4,5-tris(fluoranyl)phenyl]ethyl]amino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[[2-hydroxy-2-(3,4,5-trifluorophenyl)ethyl]amino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[[2-hydroxy-2-(3,4,5-trifluorophenyl)ethyl]amino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[[2-hydroxy-2-(3,4,5-trifluorophenyl)ethyl]amino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[[2-hydroxy-2-(3,4,5-trifluorophenyl)ethyl]amino]-4-(4-pyridylamino)cyclobut-3-ene-1,2-quinone Formula: C17H12F3N3O3 MolecularWeight: 363.29069

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1NC2=C(C(=O)C2=O)NCC(C3=CC(=C(C(=C3)F)F)F)O

Isomeric SMILES

C1=CN=CC=C1NC2=C(C(=O)C2=O)NCC(C3=CC(=C(C(=C3)F)F)F)O

InChI

InChI=1S/C17H12F3N3O3/c18-10-5-8(6-11(19)13(10)20)12(24)7-22-14-15(17(26)16(14)25)23-9-1-3-21-4-2-9/h1-6,12,22,24H,7H2,(H,21,23)