4-(4-azidobutyl)-6-imidazol-1-yl-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione

Systemtic Name: 4-(4-azidobutyl)-6-imidazol-1-yl-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione Openeye Name: 4-(4-azidobutyl)-6-imidazol-1-yl-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione CAS Name: 4-(4-azidobutyl)-6-(1-imidazolyl)-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione IUPAC Name: 4-(4-azidobutyl)-6-imidazol-1-yl-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione Traditional Name: 4-(4-azidobutyl)-6-imidazol-1-yl-7-(trifluoromethyl)-1H-quinoxaline-2,3-quinone Formula: C16H14F3N7O2 MolecularWeight: 393.32327

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)C2=CC3=C(C=C2C(F)(F)F)NC(=O)C(=O)N3CCCCN=[N+]=[N-]

Isomeric SMILES

C1=CN(C=N1)C2=CC3=C(C=C2C(F)(F)F)NC(=O)C(=O)N3CCCCN=[N+]=[N-]

InChI

InChI=1S/C16H14F3N7O2/c17-16(18,19)10-7-11-13(8-12(10)25-6-4-21-9-25)26(15(28)14(27)23-11)5-2-1-3-22-24-20/h4,6-9H,1-3,5H2,(H,23,27)