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

Systemtic Name: 1-[2-chloranyl-5-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-fluorobenzyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C21H18ClF4N3 MolecularWeight: 423.834333

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=C(C=CC(=C3)C(F)(F)F)Cl)CC4=CC=C(C=C4)F)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=C(C=CC(=C3)C(F)(F)F)Cl)CC4=CC=C(C=C4)F)C1

InChI

InChI=1S/C21H18ClF4N3/c22-17-9-6-14(21(24,25)26)12-19(17)29-20-16(3-1-2-10-27-20)18(28-29)11-13-4-7-15(23)8-5-13/h4-9,12,28H,1-3,10-11H2