1-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea CAS Name: 1-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea Formula: C21H20F3N5O MolecularWeight: 415.41161

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)C3=CC(=CC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CCC2=NN=C(N2CC1)C3=CC(=CC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H20F3N5O/c22-21(23,24)15-7-5-9-17(13-15)26-20(30)25-16-8-4-6-14(12-16)19-28-27-18-10-2-1-3-11-29(18)19/h4-9,12-13H,1-3,10-11H2,(H2,25,26,30)