ethyl 1-(2-chlorophenyl)-5-[[(2,2-dimethyloxan-4-yl)amino]methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(2-chlorophenyl)-5-[[(2,2-dimethyloxan-4-yl)amino]methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(2-chlorophenyl)-5-[[(2,2-dimethyltetrahydropyran-4-yl)amino]methyl]pyrazole-4-carboxylate CAS Name: 1-(2-chlorophenyl)-5-[[(2,2-dimethyl-4-oxanyl)amino]methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-chlorophenyl)-5-[[(2,2-dimethyloxan-4-yl)amino]methyl]pyrazole-4-carboxylate Traditional Name: 1-(2-chlorophenyl)-5-[[(2,2-dimethyltetrahydropyran-4-yl)amino]methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C20H26ClN3O3 MolecularWeight: 391.89174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2Cl)CNC3CCOC(C3)(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2Cl)CNC3CCOC(C3)(C)C

InChI

InChI=1S/C20H26ClN3O3/c1-4-26-19(25)15-12-23-24(17-8-6-5-7-16(17)21)18(15)13-22-14-9-10-27-20(2,3)11-14/h5-8,12,14,22H,4,9-11,13H2,1-3H3