[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 1-butyl-5-chloro-3-methyl-4-pyrazolecarboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C20H20ClN5O3 MolecularWeight: 413.8575

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)Cl

InChI

InChI=1S/C20H20ClN5O3/c1-3-4-10-26-18(21)17(13(2)24-26)20(28)29-12-16-23-15-8-6-5-7-14(15)19(27)25(16)11-9-22/h5-8H,3-4,10-12H2,1-2H3