3-[3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzoic acid

Systemtic Name: 3-[3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzoic acid Openeye Name: 3-[3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzoic acid CAS Name: 3-[3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzoic acid IUPAC Name: 3-[3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzoic acid Traditional Name: 3-[3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepin-1-yl]benzoic acid Formula: C21H18F3N3O2 MolecularWeight: 401.38173

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC=CC(=C3)C(=O)O)C4=CC=C(C=C4)C(F)(F)F)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC=CC(=C3)C(=O)O)C4=CC=C(C=C4)C(F)(F)F)C1

InChI

InChI=1S/C21H18F3N3O2/c22-21(23,24)15-9-7-13(8-10-15)18-17-6-1-2-11-25-19(17)27(26-18)16-5-3-4-14(12-16)20(28)29/h3-5,7-10,12,26H,1-2,6,11H2,(H,28,29)