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

Systemtic Name: 1-[6-(2-fluorophenyl)-1,4,4-trimethyl-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]-3-(2-hydroxyethyl)urea Openeye Name: 1-[6-(2-fluorophenyl)-1,4,4-trimethyl-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]-3-(2-hydroxyethyl)urea CAS Name: 1-[6-(2-fluorophenyl)-1,4,4-trimethyl-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]-3-(2-hydroxyethyl)urea IUPAC Name: 1-[6-(2-fluorophenyl)-1,4,4-trimethyl-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]-3-(2-hydroxyethyl)urea Traditional Name: 1-[6-(2-fluorophenyl)-1,4,4-trimethyl-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]-3-(2-hydroxyethyl)urea Formula: C22H23FN6O2 MolecularWeight: 422.455423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN6O2/c1-13-27-28-20-22(2,3)26-19(15-6-4-5-7-17(15)23)16-12-14(8-9-18(16)29(13)20)25-21(31)24-10-11-30/h4-9,12,30H,10-11H2,1-3H3,(H2,24,25,31)