methyl 3-[(6-bromanyl-2-phenyl-quinazolin-4-yl)amino]benzoate

Systemtic Name: methyl 3-[(6-bromanyl-2-phenyl-quinazolin-4-yl)amino]benzoate Openeye Name: methyl 3-[(6-bromo-2-phenyl-quinazolin-4-yl)amino]benzoate CAS Name: 3-[(6-bromo-2-phenyl-4-quinazolinyl)amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(6-bromo-2-phenylquinazolin-4-yl)amino]benzoate Traditional Name: 3-[(6-bromo-2-phenyl-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=C2C=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC2=NC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4

InChI

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