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

Systemtic Name: methyl 3-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]benzoate Openeye Name: methyl 3-[[[2-(3-pyridyl)quinazolin-4-yl]amino]methyl]benzoate CAS Name: 3-[[[2-(3-pyridinyl)-4-quinazolinyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]benzoate Traditional Name: 3-[[[2-(3-pyridyl)quinazolin-4-yl]amino]methyl]benzoic acid methyl ester Formula: C22H18N4O2 MolecularWeight: 370.40392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4

InChI

InChI=1S/C22H18N4O2/c1-28-22(27)16-7-4-6-15(12-16)13-24-21-18-9-2-3-10-19(18)25-20(26-21)17-8-5-11-23-14-17/h2-12,14H,13H2,1H3,(H,24,25,26)