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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)Cl)CC(C)C

InChI

InChI=1S/C20H20ClN5O3/c1-12(2)10-26-18(21)17(13(3)24-26)20(28)29-11-16-23-15-7-5-4-6-14(15)19(27)25(16)9-8-22/h4-7,12H,9-11H2,1-3H3