2-[4-[3-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]propyl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[3-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]propyl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[3-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]propyl]piperazin-1-yl]ethanol CAS Name: 2-[4-[3-[[6-bromo-2-(trifluoromethyl)-4-quinazolinyl]amino]propyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[3-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]propyl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[3-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]propyl]piperazino]ethanol Formula: C18H23BrF3N5O MolecularWeight: 462.30733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F)CCO

Isomeric SMILES

C1CN(CCN1CCCNC2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F)CCO

InChI

InChI=1S/C18H23BrF3N5O/c19-13-2-3-15-14(12-13)16(25-17(24-15)18(20,21)22)23-4-1-5-26-6-8-27(9-7-26)10-11-28/h2-3,12,28H,1,4-11H2,(H,23,24,25)