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

Systemtic Name: methyl 4-[(2-pyridin-3-ylquinazolin-4-yl)amino]butanoate Openeye Name: methyl 4-[[2-(3-pyridyl)quinazolin-4-yl]amino]butanoate CAS Name: 4-[[2-(3-pyridinyl)-4-quinazolinyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2-pyridin-3-ylquinazolin-4-yl)amino]butanoate Traditional Name: 4-[[2-(3-pyridyl)quinazolin-4-yl]amino]butyric acid methyl ester Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC1=NC(=NC2=CC=CC=C21)C3=CN=CC=C3

Isomeric SMILES

COC(=O)CCCNC1=NC(=NC2=CC=CC=C21)C3=CN=CC=C3

InChI

InChI=1S/C18H18N4O2/c1-24-16(23)9-5-11-20-18-14-7-2-3-8-15(14)21-17(22-18)13-6-4-10-19-12-13/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,20,21,22)