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

Systemtic Name: 1-[2-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-[2-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-[2-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-[2-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-[2-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C23H24F3N3O3 MolecularWeight: 447.45017

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C3CCCCN=C3N(N2)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C3CCCCN=C3N(N2)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C23H24F3N3O3/c1-30-18-12-14(13-19(31-2)21(18)32-3)20-15-8-6-7-11-27-22(15)29(28-20)17-10-5-4-9-16(17)23(24,25)26/h4-5,9-10,12-13,28H,6-8,11H2,1-3H3