2-[(2-chloranyl-4-oxidanylidene-5,6,7,8-tetrahydroquinazolin-3-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(2-chloranyl-4-oxidanylidene-5,6,7,8-tetrahydroquinazolin-3-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(2-chloro-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)methyl]benzonitrile CAS Name: 2-[(2-chloro-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)methyl]benzonitrile IUPAC Name: 2-[(2-chloro-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)methyl]benzonitrile Traditional Name: 2-[(2-chloro-4-keto-5,6,7,8-tetrahydroquinazolin-3-yl)methyl]benzonitrile Formula: C16H14ClN3O MolecularWeight: 299.75486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=O)N(C(=N2)Cl)CC3=CC=CC=C3C#N

Isomeric SMILES

C1CCC2=C(C1)C(=O)N(C(=N2)Cl)CC3=CC=CC=C3C#N

InChI

InChI=1S/C16H14ClN3O/c17-16-19-14-8-4-3-7-13(14)15(21)20(16)10-12-6-2-1-5-11(12)9-18/h1-2,5-6H,3-4,7-8,10H2