[4-(4-cyanophenyl)phenyl] 4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)butanoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)butanoate Openeye Name: [4-(4-cyanophenyl)phenyl] 4-(2-methyl-4-oxo-quinazolin-3-yl)butanoate CAS Name: 4-(2-methyl-4-oxo-3-quinazolinyl)butanoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 4-(2-methyl-4-oxoquinazolin-3-yl)butanoate Traditional Name: 4-(4-keto-2-methyl-quinazolin-3-yl)butyric acid [4-(4-cyanophenyl)phenyl] ester Formula: C26H21N3O3 MolecularWeight: 423.46324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1CCCC(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1CCCC(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H21N3O3/c1-18-28-24-6-3-2-5-23(24)26(31)29(18)16-4-7-25(30)32-22-14-12-21(13-15-22)20-10-8-19(17-27)9-11-20/h2-3,5-6,8-15H,4,7,16H2,1H3