3-(1-benzofuran-2-yl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 3-(1-benzofuran-2-yl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(benzofuran-2-yl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(2-benzofuranyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(1-benzofuran-2-yl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(benzofuran-2-yl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C21H18FN3O MolecularWeight: 347.385523

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)F)C4=CC5=CC=CC=C5O4)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)F)C4=CC5=CC=CC=C5O4)C1

InChI

InChI=1S/C21H18FN3O/c22-15-8-10-16(11-9-15)25-21-17(6-3-4-12-23-21)20(24-25)19-13-14-5-1-2-7-18(14)26-19/h1-2,5,7-11,13,24H,3-4,6,12H2