1-[2,4-bis(fluoranyl)phenyl]-3-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-3-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(2,4-difluorophenyl)-3-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(2,4-difluorophenyl)-3-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(2,4-difluorophenyl)-3-[(3-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(2,4-difluorophenyl)-3-m-anisyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C21H21F2N3O MolecularWeight: 369.407746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2=C3CCCCN=C3N(N2)C4=C(C=C(C=C4)F)F

Isomeric SMILES

COC1=CC=CC(=C1)CC2=C3CCCCN=C3N(N2)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C21H21F2N3O/c1-27-16-6-4-5-14(11-16)12-19-17-7-2-3-10-24-21(17)26(25-19)20-9-8-15(22)13-18(20)23/h4-6,8-9,11,13,25H,2-3,7,10,12H2,1H3