3-[5-(5-chloranylpyridin-3-yl)-2-(diethylamino)-8-methoxy-quinazolin-7-yl]benzoic acid

Systemtic Name: 3-[5-(5-chloranylpyridin-3-yl)-2-(diethylamino)-8-methoxy-quinazolin-7-yl]benzoic acid Openeye Name: 3-[5-(5-chloro-3-pyridyl)-2-(diethylamino)-8-methoxy-quinazolin-7-yl]benzoic acid CAS Name: 3-[5-(5-chloro-3-pyridinyl)-2-(diethylamino)-8-methoxy-7-quinazolinyl]benzoic acid IUPAC Name: 3-[5-(5-chloropyridin-3-yl)-2-(diethylamino)-8-methoxyquinazolin-7-yl]benzoic acid Traditional Name: 3-[5-(5-chloro-3-pyridyl)-2-(diethylamino)-8-methoxy-quinazolin-7-yl]benzoic acid Formula: C25H23ClN4O3 MolecularWeight: 462.92812

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC=C2C(=CC(=C(C2=N1)OC)C3=CC(=CC=C3)C(=O)O)C4=CC(=CN=C4)Cl

Isomeric SMILES

CCN(CC)C1=NC=C2C(=CC(=C(C2=N1)OC)C3=CC(=CC=C3)C(=O)O)C4=CC(=CN=C4)Cl

InChI

InChI=1S/C25H23ClN4O3/c1-4-30(5-2)25-28-14-21-19(17-10-18(26)13-27-12-17)11-20(23(33-3)22(21)29-25)15-7-6-8-16(9-15)24(31)32/h6-14H,4-5H2,1-3H3,(H,31,32)