2-(7-chloranyl-4-oxidanylidene-quinazolin-3-yl)-N-(3-ethylpent-1-yn-3-yl)ethanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-quinazolin-3-yl)-N-(3-ethylpent-1-yn-3-yl)ethanamide Openeye Name: 2-(7-chloro-4-oxo-quinazolin-3-yl)-N-(1,1-diethylprop-2-ynyl)acetamide CAS Name: 2-(7-chloro-4-oxo-3-quinazolinyl)-N-(3-ethylpent-1-yn-3-yl)acetamide IUPAC Name: 2-(7-chloro-4-oxoquinazolin-3-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide Traditional Name: 2-(7-chloro-4-keto-quinazolin-3-yl)-N-(1,1-diethylprop-2-ynyl)acetamide Formula: C17H18ClN3O2 MolecularWeight: 331.79672

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)CN1C=NC2=C(C1=O)C=CC(=C2)Cl

Isomeric SMILES

CCC(CC)(C#C)NC(=O)CN1C=NC2=C(C1=O)C=CC(=C2)Cl

InChI

InChI=1S/C17H18ClN3O2/c1-4-17(5-2,6-3)20-15(22)10-21-11-19-14-9-12(18)7-8-13(14)16(21)23/h1,7-9,11H,5-6,10H2,2-3H3,(H,20,22)