[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-methylpentanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-methylpentanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 4-methylpentanoate CAS Name: 4-methylpentanoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 4-methylpentanoate Traditional Name: 4-methylvaleric acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)OCC1=NC2=CC=CC=C2C(=O)N1CC#N

Isomeric SMILES

CC(C)CCC(=O)OCC1=NC2=CC=CC=C2C(=O)N1CC#N

InChI

InChI=1S/C17H19N3O3/c1-12(2)7-8-16(21)23-11-15-19-14-6-4-3-5-13(14)17(22)20(15)10-9-18/h3-6,12H,7-8,10-11H2,1-2H3