ethyl 5-[(3-aminocarbonylpiperidin-1-yl)methyl]-1-(2-chlorophenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(3-aminocarbonylpiperidin-1-yl)methyl]-1-(2-chlorophenyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[(3-carbamoyl-1-piperidyl)methyl]-1-(2-chlorophenyl)pyrazole-4-carboxylate CAS Name: 5-[(3-carbamoyl-1-piperidinyl)methyl]-1-(2-chlorophenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-carbamoylpiperidin-1-yl)methyl]-1-(2-chlorophenyl)pyrazole-4-carboxylate Traditional Name: 5-[(3-carbamoylpiperidino)methyl]-1-(2-chlorophenyl)pyrazole-4-carboxylic acid ethyl ester Formula: C19H23ClN4O3 MolecularWeight: 390.86392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2Cl)CN3CCCC(C3)C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2Cl)CN3CCCC(C3)C(=O)N

InChI

InChI=1S/C19H23ClN4O3/c1-2-27-19(26)14-10-22-24(16-8-4-3-7-15(16)20)17(14)12-23-9-5-6-13(11-23)18(21)25/h3-4,7-8,10,13H,2,5-6,9,11-12H2,1H3,(H2,21,25)