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

Systemtic Name: 4-[3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzenecarbonitrile Openeye Name: 4-[3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzonitrile CAS Name: 4-[3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzonitrile IUPAC Name: 4-[3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepin-1-yl]benzonitrile Traditional Name: 4-[3-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepin-1-yl]benzonitrile Formula: C21H17F3N4 MolecularWeight: 382.38169

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)C#N)C4=CC(=CC=C4)C(F)(F)F)C1

Isomeric SMILES

C1CCN=C2C(=C(NN2C3=CC=C(C=C3)C#N)C4=CC(=CC=C4)C(F)(F)F)C1

InChI

InChI=1S/C21H17F3N4/c22-21(23,24)16-5-3-4-15(12-16)19-18-6-1-2-11-26-20(18)28(27-19)17-9-7-14(13-25)8-10-17/h3-5,7-10,12,27H,1-2,6,11H2