[4-(4-cyanophenyl)phenyl] 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoate Openeye Name: [4-(4-cyanophenyl)phenyl] 3-(6-bromo-4-oxo-quinazolin-3-yl)propanoate CAS Name: 3-(6-bromo-4-oxo-3-quinazolinyl)propanoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 3-(6-bromo-4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(6-bromo-4-keto-quinazolin-3-yl)propionic acid [4-(4-cyanophenyl)phenyl] ester Formula: C24H16BrN3O3 MolecularWeight: 474.30614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C24H16BrN3O3/c25-19-7-10-22-21(13-19)24(30)28(15-27-22)12-11-23(29)31-20-8-5-18(6-9-20)17-3-1-16(14-26)2-4-17/h1-10,13,15H,11-12H2