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

Systemtic Name: 1-[4-chloranyl-2-(trifluoromethyl)phenyl]-3-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C22H21ClF3N3O2 MolecularWeight: 451.86925

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=C3CCCCN=C3N(N2)C4=C(C=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=C3CCCCN=C3N(N2)C4=C(C=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C22H21ClF3N3O2/c1-30-18-8-5-7-14(20(18)31-2)19-15-6-3-4-11-27-21(15)29(28-19)17-10-9-13(23)12-16(17)22(24,25)26/h5,7-10,12,28H,3-4,6,11H2,1-2H3