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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl pentanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl pentanoate CAS Name: pentanoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl pentanoate Traditional Name: valeric acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC1=NC2=CC=CC=C2C(=O)N1CC#N

Isomeric SMILES

CCCCC(=O)OCC1=NC2=CC=CC=C2C(=O)N1CC#N

InChI

InChI=1S/C16H17N3O3/c1-2-3-8-15(20)22-11-14-18-13-7-5-4-6-12(13)16(21)19(14)10-9-17/h4-7H,2-3,8,10-11H2,1H3