3-[(4-oxidanylidenequinazolin-3-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(4-oxidanylidenequinazolin-3-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(4-oxoquinazolin-3-yl)methyl]benzonitrile CAS Name: 3-[(4-oxo-3-quinazolinyl)methyl]benzonitrile IUPAC Name: 3-[(4-oxoquinazolin-3-yl)methyl]benzonitrile Traditional Name: 3-[(4-ketoquinazolin-3-yl)methyl]benzonitrile Formula: C16H11N3O MolecularWeight: 261.27804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H11N3O/c17-9-12-4-3-5-13(8-12)10-19-11-18-15-7-2-1-6-14(15)16(19)20/h1-8,11H,10H2