4-[[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoate

Systemtic Name: 4-[[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoate Openeye Name: 4-[[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoate CAS Name: 4-[[[6-bromo-2-(trifluoromethyl)-4-quinazolinyl]amino]methyl]benzoate IUPAC Name: 4-[[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoate Traditional Name: 4-[[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoate Formula: C17H10BrF3N3O2- MolecularWeight: 425.17941

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C17H11BrF3N3O2/c18-11-5-6-13-12(7-11)14(24-16(23-13)17(19,20)21)22-8-9-1-3-10(4-2-9)15(25)26/h1-7H,8H2,(H,25,26)(H,22,23,24)/p-1