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

Systemtic Name: [(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Openeye Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxylic acid [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Traditional Name: 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylic acid [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C19H21ClN4O3 MolecularWeight: 388.84804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)O[C@H](C)C2=NC(=O)C3=CC=CC=C3N2)Cl)CC(C)C

InChI

InChI=1S/C19H21ClN4O3/c1-10(2)9-24-16(20)15(11(3)23-24)19(26)27-12(4)17-21-14-8-6-5-7-13(14)18(25)22-17/h5-8,10,12H,9H2,1-4H3,(H,21,22,25)/t12-/m1/s1