1H-pyrazolo[3,4-b]pyridin-5-yl 2-(4-fluorophenyl)-3-phenyl-hept-6-enoate

Systemtic Name: 1H-pyrazolo[3,4-b]pyridin-5-yl 2-(4-fluorophenyl)-3-phenyl-hept-6-enoate Openeye Name: 1H-pyrazolo[3,4-b]pyridin-5-yl 2-(4-fluorophenyl)-3-phenyl-hept-6-enoate CAS Name: 2-(4-fluorophenyl)-3-phenyl-6-heptenoic acid 1H-pyrazolo[3,4-b]pyridin-5-yl ester IUPAC Name: 1H-pyrazolo[3,4-b]pyridin-5-yl 2-(4-fluorophenyl)-3-phenylhept-6-enoate Traditional Name: 2-(4-fluorophenyl)-3-phenyl-hept-6-enoic acid 1H-pyrazolo[3,4-b]pyridin-5-yl ester Formula: C25H22FN3O2 MolecularWeight: 415.459483

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(C1=CC=CC=C1)C(C2=CC=C(C=C2)F)C(=O)OC3=CN=C4C(=C3)C=NN4

Isomeric SMILES

C=CCCC(C1=CC=CC=C1)C(C2=CC=C(C=C2)F)C(=O)OC3=CN=C4C(=C3)C=NN4

InChI

InChI=1S/C25H22FN3O2/c1-2-3-9-22(17-7-5-4-6-8-17)23(18-10-12-20(26)13-11-18)25(30)31-21-14-19-15-28-29-24(19)27-16-21/h2,4-8,10-16,22-23H,1,3,9H2,(H,27,28,29)