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

Systemtic Name: methyl 4-[(2-pyridin-4-ylquinazolin-4-yl)amino]benzoate Openeye Name: methyl 4-[[2-(4-pyridyl)quinazolin-4-yl]amino]benzoate CAS Name: 4-[(2-pyridin-4-yl-4-quinazolinyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-pyridin-4-ylquinazolin-4-yl)amino]benzoate Traditional Name: 4-[[2-(4-pyridyl)quinazolin-4-yl]amino]benzoic acid methyl ester Formula: C21H16N4O2 MolecularWeight: 356.37734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4

InChI

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