methyl 3-[[2-(4-bromophenyl)quinazolin-4-yl]amino]benzoate

Systemtic Name: methyl 3-[[2-(4-bromophenyl)quinazolin-4-yl]amino]benzoate Openeye Name: methyl 3-[[2-(4-bromophenyl)quinazolin-4-yl]amino]benzoate CAS Name: 3-[[2-(4-bromophenyl)-4-quinazolinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-bromophenyl)quinazolin-4-yl]amino]benzoate Traditional Name: 3-[[2-(4-bromophenyl)quinazolin-4-yl]amino]benzoic acid methyl ester Formula: C22H16BrN3O2 MolecularWeight: 434.28534

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H16BrN3O2/c1-28-22(27)15-5-4-6-17(13-15)24-21-18-7-2-3-8-19(18)25-20(26-21)14-9-11-16(23)12-10-14/h2-13H,1H3,(H,24,25,26)