ethyl 3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzoate chloride

Systemtic Name: ethyl 3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzoate chloride Openeye Name: ethyl 3-[[2-(3-pyridyl)quinazolin-4-yl]amino]benzoate chloride CAS Name: 3-[[2-(3-pyridinyl)-4-quinazolinyl]amino]benzoic acid ethyl ester chloride IUPAC Name: ethyl 3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzoate chloride Traditional Name: 3-[[2-(3-pyridyl)quinazolin-4-yl]amino]benzoic acid ethyl ester chloride Formula: C22H18ClN4O2- MolecularWeight: 405.85692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O2.ClH/c1-2-28-22(27)15-7-5-9-17(13-15)24-21-18-10-3-4-11-19(18)25-20(26-21)16-8-6-12-23-14-16;/h3-14H,2H2,1H3,(H,24,25,26);1H/p-1