2-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-(cyanomethyl)-N-phenyl-ethanamide

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-(cyanomethyl)-N-phenyl-ethanamide Openeye Name: 2-(6-bromo-4-oxo-quinazolin-3-yl)-N-(cyanomethyl)-N-phenyl-acetamide CAS Name: 2-(6-bromo-4-oxo-3-quinazolinyl)-N-(cyanomethyl)-N-phenylacetamide IUPAC Name: 2-(6-bromo-4-oxoquinazolin-3-yl)-N-(cyanomethyl)-N-phenylacetamide Traditional Name: 2-(6-bromo-4-keto-quinazolin-3-yl)-N-(cyanomethyl)-N-phenyl-acetamide Formula: C18H13BrN4O2 MolecularWeight: 397.22542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC#N)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)N(CC#N)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C18H13BrN4O2/c19-13-6-7-16-15(10-13)18(25)22(12-21-16)11-17(24)23(9-8-20)14-4-2-1-3-5-14/h1-7,10,12H,9,11H2