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

Systemtic Name: 3-(2-chloranyl-4-fluoranyl-phenyl)-1-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 3-(2-chloro-4-fluoro-phenyl)-1-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 3-(2-chloro-4-fluorophenyl)-1-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 3-(2-chloro-4-fluorophenyl)-1-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 3-(2-chloro-4-fluoro-phenyl)-1-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C21H21ClFN3 MolecularWeight: 369.862943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C3=NCCCCC3=C(N2)C4=C(C=C(C=C4)F)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C3=NCCCCC3=C(N2)C4=C(C=C(C=C4)F)Cl)C

InChI

InChI=1S/C21H21ClFN3/c1-13-6-9-19(14(2)11-13)26-21-17(5-3-4-10-24-21)20(25-26)16-8-7-15(23)12-18(16)22/h6-9,11-12,25H,3-5,10H2,1-2H3