2-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide Openeye Name: 2-(6-bromo-4-oxo-quinazolin-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide CAS Name: 2-(6-bromo-4-oxo-3-quinazolinyl)-N-[(1-phenyl-4-pyrazolyl)methyl]acetamide IUPAC Name: 2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Traditional Name: 2-(6-bromo-4-keto-quinazolin-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Formula: C20H16BrN5O2 MolecularWeight: 438.27734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CNC(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CNC(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C20H16BrN5O2/c21-15-6-7-18-17(8-15)20(28)25(13-23-18)12-19(27)22-9-14-10-24-26(11-14)16-4-2-1-3-5-16/h1-8,10-11,13H,9,12H2,(H,22,27)