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

Systemtic Name: [2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl] 3-[3-(trifluoromethyl)phenyl]prop-2-enoate Openeye Name: [2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl] 3-[3-(trifluoromethyl)phenyl]prop-2-enoate CAS Name: 3-[3-(trifluoromethyl)phenyl]-2-propenoic acid [2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl] ester IUPAC Name: [2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl] 3-[3-(trifluoromethyl)phenyl]prop-2-enoate Traditional Name: 3-[3-(trifluoromethyl)phenyl]acrylic acid [2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)phenyl] ester Formula: C23H20F3N3O2 MolecularWeight: 427.41901

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)C3=CC=CC=C3OC(=O)C=CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1CCC2=NN=C(N2CC1)C3=CC=CC=C3OC(=O)C=CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C23H20F3N3O2/c24-23(25,26)17-8-6-7-16(15-17)12-13-21(30)31-19-10-4-3-9-18(19)22-28-27-20-11-2-1-5-14-29(20)22/h3-4,6-10,12-13,15H,1-2,5,11,14H2