1-[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxylate

Systemtic Name: 1-[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxylate Openeye Name: 1-[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-bromo-2-(trifluoromethyl)-4-quinazolinyl]-4-piperidinecarboxylate IUPAC Name: 1-[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]isonipecotate Formula: C15H12BrF3N3O2- MolecularWeight: 403.17389

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])C2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)[O-])C2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F

InChI

InChI=1S/C15H13BrF3N3O2/c16-9-1-2-11-10(7-9)12(21-14(20-11)15(17,18)19)22-5-3-8(4-6-22)13(23)24/h1-2,7-8H,3-6H2,(H,23,24)/p-1