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

Systemtic Name: 3-(5-bromanyl-2-methoxy-phenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(5-bromo-2-methoxy-phenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(5-bromo-2-methoxyphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(5-bromo-2-methoxyphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(5-bromo-2-methoxy-phenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C20H19BrFN3O MolecularWeight: 416.286763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrFN3O/c1-26-18-10-5-13(21)12-17(18)19-16-4-2-3-11-23-20(16)25(24-19)15-8-6-14(22)7-9-15/h5-10,12,24H,2-4,11H2,1H3