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

Systemtic Name: propyl 3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzoate hydrochloride Openeye Name: propyl 3-[[2-(3-pyridyl)quinazolin-4-yl]amino]benzoate hydrochloride CAS Name: 3-[[2-(3-pyridinyl)-4-quinazolinyl]amino]benzoic acid propyl ester hydrochloride IUPAC Name: propyl 3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzoate hydrochloride Traditional Name: 3-[[2-(3-pyridyl)quinazolin-4-yl]amino]benzoic acid propyl ester hydrochloride Formula: C23H21ClN4O2 MolecularWeight: 420.89144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N4O2.ClH/c1-2-13-29-23(28)16-7-5-9-18(14-16)25-22-19-10-3-4-11-20(19)26-21(27-22)17-8-6-12-24-15-17;/h3-12,14-15H,2,13H2,1H3,(H,25,26,27);1H