2-[2-[[(4-chlorophenyl)amino]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[[(4-chlorophenyl)amino]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(4-chloroanilino)methyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[(4-chloroanilino)methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(4-chloroanilino)methyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[(4-chloroanilino)methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C17H13ClN4O MolecularWeight: 324.76432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)CNC3=CC=C(C=C3)Cl)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CNC3=CC=C(C=C3)Cl)CC#N

InChI

InChI=1S/C17H13ClN4O/c18-12-5-7-13(8-6-12)20-11-16-21-15-4-2-1-3-14(15)17(23)22(16)10-9-19/h1-8,20H,10-11H2