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

Systemtic Name: 3-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C21H22FN3O2 MolecularWeight: 367.416683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=C3CCCCN=C3N(N2)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=C3CCCCN=C3N(N2)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN3O2/c1-26-16-10-11-19(27-2)18(13-16)20-17-5-3-4-12-23-21(17)25(24-20)15-8-6-14(22)7-9-15/h6-11,13,24H,3-5,12H2,1-2H3