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

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]-1-(2-propan-2-ylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(2,4-difluorophenyl)-1-(2-isopropylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(2,4-difluorophenyl)-1-(2-propan-2-ylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(2,4-difluorophenyl)-1-(2-propan-2-ylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(2,4-difluorophenyl)-1-o-cumenyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C22H23F2N3 MolecularWeight: 367.434926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C3=NCCCCC3=C(N2)C4=C(C=C(C=C4)F)F

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C3=NCCCCC3=C(N2)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C22H23F2N3/c1-14(2)16-7-3-4-9-20(16)27-22-18(8-5-6-12-25-22)21(26-27)17-11-10-15(23)13-19(17)24/h3-4,7,9-11,13-14,26H,5-6,8,12H2,1-2H3