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

Systemtic Name: 3-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(3,5-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(=CC(=C1)C2=C3CCCCN=C3N(N2)C4=CC=C(C=C4)F)OC

Isomeric SMILES

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

InChI

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