4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(4-oxo-1H-quinazolin-2-yl)methyl]benzonitrile CAS Name: 4-[(4-oxo-1H-quinazolin-2-yl)methyl]benzonitrile IUPAC Name: 4-[(4-oxo-1H-quinazolin-2-yl)methyl]benzonitrile Traditional Name: 4-[(4-keto-1H-quinazolin-2-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=C(C=C3)C#N

Isomeric SMILES

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

InChI

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