ethyl 1-(2-oxidanylbutyl)-5-[[4-(phenylmethyl)piperazin-1-yl]carbonylamino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(2-oxidanylbutyl)-5-[[4-(phenylmethyl)piperazin-1-yl]carbonylamino]pyrazole-4-carboxylate Openeye Name: ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate CAS Name: 1-(2-hydroxybutyl)-5-[[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate Traditional Name: 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-(2-hydroxybutyl)pyrazole-4-carboxylic acid ethyl ester Formula: C22H31N5O4 MolecularWeight: 429.51264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C(=C(C=N1)C(=O)OCC)NC(=O)N2CCN(CC2)CC3=CC=CC=C3)O

Isomeric SMILES

CCC(CN1C(=C(C=N1)C(=O)OCC)NC(=O)N2CCN(CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C22H31N5O4/c1-3-18(28)16-27-20(19(14-23-27)21(29)31-4-2)24-22(30)26-12-10-25(11-13-26)15-17-8-6-5-7-9-17/h5-9,14,18,28H,3-4,10-13,15-16H2,1-2H3,(H,24,30)