6-(2-fluorophenyl)-8-isocyanato-1,4,4-trimethyl-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Systemtic Name: 6-(2-fluorophenyl)-8-isocyanato-1,4,4-trimethyl-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Openeye Name: 6-(2-fluorophenyl)-8-isocyanato-1,4,4-trimethyl-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine CAS Name: 6-(2-fluorophenyl)-8-isocyanato-1,4,4-trimethyl-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine IUPAC Name: 6-(2-fluorophenyl)-8-isocyanato-1,4,4-trimethyl-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Traditional Name: 6-(2-fluorophenyl)-8-isocyanato-1,4,4-trimethyl-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Formula: C20H16FN5O MolecularWeight: 361.372343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C2N1C3=C(C=C(C=C3)N=C=O)C(=NC2(C)C)C4=CC=CC=C4F

Isomeric SMILES

CC1=NN=C2N1C3=C(C=C(C=C3)N=C=O)C(=NC2(C)C)C4=CC=CC=C4F

InChI

InChI=1S/C20H16FN5O/c1-12-24-25-19-20(2,3)23-18(14-6-4-5-7-16(14)21)15-10-13(22-11-27)8-9-17(15)26(12)19/h4-10H,1-3H3