4-[2-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)ethanoyl]benzenecarbonitrile Openeye Name: 4-[2-(6-chloro-4-oxo-quinazolin-3-yl)acetyl]benzonitrile CAS Name: 4-[2-(6-chloro-4-oxo-3-quinazolinyl)-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-(6-chloro-4-oxoquinazolin-3-yl)acetyl]benzonitrile Traditional Name: 4-[2-(6-chloro-4-keto-quinazolin-3-yl)acetyl]benzonitrile Formula: C17H10ClN3O2 MolecularWeight: 323.7332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Cl

InChI

InChI=1S/C17H10ClN3O2/c18-13-5-6-15-14(7-13)17(23)21(10-20-15)9-16(22)12-3-1-11(8-19)2-4-12/h1-7,10H,9H2