3-[(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(6-chloro-4-oxo-quinazolin-3-yl)methyl]benzonitrile CAS Name: 3-[(6-chloro-4-oxo-3-quinazolinyl)methyl]benzonitrile IUPAC Name: 3-[(6-chloro-4-oxoquinazolin-3-yl)methyl]benzonitrile Traditional Name: 3-[(6-chloro-4-keto-quinazolin-3-yl)methyl]benzonitrile Formula: C16H10ClN3O MolecularWeight: 295.7231

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=NC3=C(C2=O)C=C(C=C3)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=NC3=C(C2=O)C=C(C=C3)Cl)C#N

InChI

InChI=1S/C16H10ClN3O/c17-13-4-5-15-14(7-13)16(21)20(10-19-15)9-12-3-1-2-11(6-12)8-18/h1-7,10H,9H2