2-[4-[(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(6-bromo-4-oxo-quinazolin-3-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(6-bromo-4-oxo-3-quinazolinyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(6-bromo-4-oxoquinazolin-3-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(6-bromo-4-keto-quinazolin-3-yl)methyl]phenyl]benzonitrile Formula: C22H14BrN3O MolecularWeight: 416.27006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C22H14BrN3O/c23-18-9-10-21-20(11-18)22(27)26(14-25-21)13-15-5-7-16(8-6-15)19-4-2-1-3-17(19)12-24/h1-11,14H,13H2