3-[6-(2-fluorophenyl)-4,4-dimethyl-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]-1,1-dimethyl-urea

Systemtic Name: 3-[6-(2-fluorophenyl)-4,4-dimethyl-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]-1,1-dimethyl-urea Openeye Name: 3-[6-(2-fluorophenyl)-4,4-dimethyl-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]-1,1-dimethyl-urea CAS Name: 3-[6-(2-fluorophenyl)-4,4-dimethyl-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]-1,1-dimethylurea IUPAC Name: 3-[6-(2-fluorophenyl)-4,4-dimethyl-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]-1,1-dimethylurea Traditional Name: 3-[6-(2-fluorophenyl)-4,4-dimethyl-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]-1,1-dimethyl-urea Formula: C21H21FN6O MolecularWeight: 392.429443

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=NN=CN2C3=C(C=C(C=C3)NC(=O)N(C)C)C(=N1)C4=CC=CC=C4F)C

Isomeric SMILES

CC1(C2=NN=CN2C3=C(C=C(C=C3)NC(=O)N(C)C)C(=N1)C4=CC=CC=C4F)C

InChI

InChI=1S/C21H21FN6O/c1-21(2)19-26-23-12-28(19)17-10-9-13(24-20(29)27(3)4)11-15(17)18(25-21)14-7-5-6-8-16(14)22/h5-12H,1-4H3,(H,24,29)