methyl 3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzoate hydrochloride

Systemtic Name: methyl 3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzoate hydrochloride Openeye Name: methyl 3-[[2-(3-pyridyl)quinazolin-4-yl]amino]benzoate hydrochloride CAS Name: 3-[[2-(3-pyridinyl)-4-quinazolinyl]amino]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzoate hydrochloride Traditional Name: 3-[[2-(3-pyridyl)quinazolin-4-yl]amino]benzoic acid methyl ester hydrochloride Formula: C21H17ClN4O2 MolecularWeight: 392.83828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4.Cl

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4.Cl

InChI

InChI=1S/C21H16N4O2.ClH/c1-27-21(26)14-6-4-8-16(12-14)23-20-17-9-2-3-10-18(17)24-19(25-20)15-7-5-11-22-13-15;/h2-13H,1H3,(H,23,24,25);1H