naphthalen-2-yl 4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzoate

Systemtic Name: naphthalen-2-yl 4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzoate Openeye Name: 2-naphthyl 4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzoate CAS Name: 4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzoic acid 2-naphthalenyl ester IUPAC Name: naphthalen-2-yl 4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzoate Traditional Name: 4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzoic acid 2-naphthyl ester Formula: C25H19F3N2O2 MolecularWeight: 436.42577

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NN2C3=CC=C(C=C3)C(=O)OC4=CC5=CC=CC=C5C=C4)C(F)(F)F

Isomeric SMILES

C1CCC2=C(C1)C(=NN2C3=CC=C(C=C3)C(=O)OC4=CC5=CC=CC=C5C=C4)C(F)(F)F

InChI

InChI=1S/C25H19F3N2O2/c26-25(27,28)23-21-7-3-4-8-22(21)30(29-23)19-12-9-17(10-13-19)24(31)32-20-14-11-16-5-1-2-6-18(16)15-20/h1-2,5-6,9-15H,3-4,7-8H2