3-azido-5-cyclopropyl-1-[2,2,2-tris(fluoranyl)ethyl]-1,4-benzodiazepine

Systemtic Name: 3-azido-5-cyclopropyl-1-[2,2,2-tris(fluoranyl)ethyl]-1,4-benzodiazepine Openeye Name: 3-azido-5-cyclopropyl-1-(2,2,2-trifluoroethyl)-1,4-benzodiazepine CAS Name: 3-azido-5-cyclopropyl-1-(2,2,2-trifluoroethyl)-1,4-benzodiazepine IUPAC Name: 3-azido-5-cyclopropyl-1-(2,2,2-trifluoroethyl)-1,4-benzodiazepine Traditional Name: 3-azido-5-cyclopropyl-1-(2,2,2-trifluoroethyl)-1,4-benzodiazepine Formula: C14H12F3N5 MolecularWeight: 307.27379

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=CN(C3=CC=CC=C32)CC(F)(F)F)N=[N+]=[N-]

Isomeric SMILES

C1CC1C2=NC(=CN(C3=CC=CC=C32)CC(F)(F)F)N=[N+]=[N-]

InChI

InChI=1S/C14H12F3N5/c15-14(16,17)8-22-7-12(20-21-18)19-13(9-5-6-9)10-3-1-2-4-11(10)22/h1-4,7,9H,5-6,8H2