ethyl 4-[[3-[(3,4-dimethoxyphenyl)amino]piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-[[3-[(3,4-dimethoxyphenyl)amino]piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[[3-(3,4-dimethoxyanilino)-1-piperidyl]methyl]-1H-pyrazole-5-carboxylate CAS Name: 4-[[3-(3,4-dimethoxyanilino)-1-piperidinyl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(3,4-dimethoxyanilino)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylate Traditional Name: 4-[[3-(3,4-dimethoxyanilino)piperidino]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C20H28N4O4 MolecularWeight: 388.46072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)CN2CCCC(C2)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)CN2CCCC(C2)NC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H28N4O4/c1-4-28-20(25)19-14(11-21-23-19)12-24-9-5-6-16(13-24)22-15-7-8-17(26-2)18(10-15)27-3/h7-8,10-11,16,22H,4-6,9,12-13H2,1-3H3,(H,21,23)