methyl 4-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]benzoate chloride

Systemtic Name: methyl 4-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]benzoate chloride Openeye Name: methyl 4-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]benzoate chloride CAS Name: 4-[[2-(4-chlorophenyl)-4-quinazolinyl]amino]benzoic acid methyl ester chloride IUPAC Name: methyl 4-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]benzoate chloride Traditional Name: 4-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]benzoic acid methyl ester chloride Formula: C22H16Cl2N3O2- MolecularWeight: 425.28734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl.[Cl-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl.[Cl-]

InChI

InChI=1S/C22H16ClN3O2.ClH/c1-28-22(27)15-8-12-17(13-9-15)24-21-18-4-2-3-5-19(18)25-20(26-21)14-6-10-16(23)11-7-14;/h2-13H,1H3,(H,24,25,26);1H/p-1