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

Systemtic Name: 1-(2-fluorophenyl)-3-(phenylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-benzyl-1-(2-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2-fluorophenyl)-3-(phenylmethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-benzyl-1-(2-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-benzyl-1-(2-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H20FN3 MolecularWeight: 321.391303

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC=CC=C3F)CC4=CC=CC=C4)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC=CC=C3F)CC4=CC=CC=C4)C1

InChI

InChI=1S/C20H20FN3/c21-17-11-4-5-12-19(17)24-20-16(10-6-7-13-22-20)18(23-24)14-15-8-2-1-3-9-15/h1-5,8-9,11-12,23H,6-7,10,13-14H2