4-[3-(4-chlorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]benzenecarbonitrile

Systemtic Name: 4-[3-(4-chlorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-2-yl]benzenecarbonitrile Openeye Name: 4-[3-(4-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzonitrile CAS Name: 4-[3-(4-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzonitrile IUPAC Name: 4-[3-(4-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzonitrile Traditional Name: 4-[3-(4-chlorophenyl)-4-keto-1,2-dihydroquinazolin-2-yl]benzonitrile Formula: C21H14ClN3O MolecularWeight: 359.80836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC=C(C=C3)C#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC=C(C=C3)C#N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H14ClN3O/c22-16-9-11-17(12-10-16)25-20(15-7-5-14(13-23)6-8-15)24-19-4-2-1-3-18(19)21(25)26/h1-12,20,24H