propyl 5-(2-morpholin-4-ylethoxy)-1-(4-propan-2-ylphenyl)pyrazole-4-carboxylate

Systemtic Name: propyl 5-(2-morpholin-4-ylethoxy)-1-(4-propan-2-ylphenyl)pyrazole-4-carboxylate Openeye Name: propyl 1-(4-isopropylphenyl)-5-(2-morpholinoethoxy)pyrazole-4-carboxylate CAS Name: 5-[2-(4-morpholinyl)ethoxy]-1-(4-propan-2-ylphenyl)-4-pyrazolecarboxylic acid propyl ester IUPAC Name: propyl 5-(2-morpholin-4-ylethoxy)-1-(4-propan-2-ylphenyl)pyrazole-4-carboxylate Traditional Name: 5-(2-morpholinoethoxy)-1-p-cumenyl-pyrazole-4-carboxylic acid propyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(C)C)OCCN3CCOCC3

Isomeric SMILES

CCCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(C)C)OCCN3CCOCC3

InChI

InChI=1S/C22H31N3O4/c1-4-12-29-22(26)20-16-23-25(19-7-5-18(6-8-19)17(2)3)21(20)28-15-11-24-9-13-27-14-10-24/h5-8,16-17H,4,9-15H2,1-3H3