N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-oxidanylidenequinazolin-3-yl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-oxidanylidenequinazolin-3-yl)ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide CAS Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide Traditional Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-ketoquinazolin-3-yl)acetamide Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CN2C=NC3=CC=CC=C3C2=O)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CN2C=NC3=CC=CC=C3C2=O)C

InChI

InChI=1S/C21H20N4O2/c1-15-10-16(2)12-17(11-15)25(9-5-8-22)20(26)13-24-14-23-19-7-4-3-6-18(19)21(24)27/h3-4,6-7,10-12,14H,5,9,13H2,1-2H3