[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-oxo-2-(2-oxolanylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-keto-2-(tetrahydrofurfurylamino)ethyl] ester Formula: C19H22ClN3O4 MolecularWeight: 391.84868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NCC2CCCO2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NCC2CCCO2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C19H22ClN3O4/c1-13-17(18(20)23(22-13)11-14-6-3-2-4-7-14)19(25)27-12-16(24)21-10-15-8-5-9-26-15/h2-4,6-7,15H,5,8-12H2,1H3,(H,21,24)