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

Systemtic Name: 1-(4-chloranyl-2-methyl-phenyl)-3-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-(4-chloro-2-methyl-phenyl)-3-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-(4-chloro-2-methylphenyl)-3-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-(4-chloro-2-methylphenyl)-3-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-(4-chloro-2-methyl-phenyl)-3-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C21H19ClF3N3 MolecularWeight: 405.84387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)N2C3=NCCCCC3=C(N2)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)N2C3=NCCCCC3=C(N2)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C21H19ClF3N3/c1-13-12-14(22)9-10-18(13)28-20-16(7-4-5-11-26-20)19(27-28)15-6-2-3-8-17(15)21(23,24)25/h2-3,6,8-10,12,27H,4-5,7,11H2,1H3