2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(trifluoromethyl)-4-quinazolinyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazino]sulfonylbenzonitrile Formula: C20H16F3N5O2S MolecularWeight: 447.43355

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NC3=CC=CC=C32)C(F)(F)F)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C2=NC(=NC3=CC=CC=C32)C(F)(F)F)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H16F3N5O2S/c21-20(22,23)19-25-16-7-3-2-6-15(16)18(26-19)27-9-11-28(12-10-27)31(29,30)17-8-4-1-5-14(17)13-24/h1-8H,9-12H2