1,3-benzodioxol-5-yl-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[2-(trifluoromethyl)-4-quinazolinyl]-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazino]methanone Formula: C21H17F3N4O3 MolecularWeight: 430.37989

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NC3=CC=CC=C32)C(F)(F)F)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C2=NC(=NC3=CC=CC=C32)C(F)(F)F)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H17F3N4O3/c22-21(23,24)20-25-15-4-2-1-3-14(15)18(26-20)27-7-9-28(10-8-27)19(29)13-5-6-16-17(11-13)31-12-30-16/h1-6,11H,7-10,12H2