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

Systemtic Name: 1-[4-chloranyl-2-(trifluoromethyl)phenyl]-3-pyridin-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Openeye Name: 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-pyridyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine CAS Name: 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-pyridinyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine IUPAC Name: 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-pyridin-3-yl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine Traditional Name: 1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-pyridyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine Formula: C19H16ClF3N4 MolecularWeight: 392.80535

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClF3N4/c20-13-6-7-16(15(10-13)19(21,22)23)27-18-14(5-1-2-9-25-18)17(26-27)12-4-3-8-24-11-12/h3-4,6-8,10-11,26H,1-2,5,9H2