ethyl 1-(2-oxidanyl-2-phenyl-ethyl)-5-(phenethylcarbamoylamino)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(2-oxidanyl-2-phenyl-ethyl)-5-(phenethylcarbamoylamino)pyrazole-4-carboxylate Openeye Name: ethyl 1-(2-hydroxy-2-phenyl-ethyl)-5-(phenethylcarbamoylamino)pyrazole-4-carboxylate CAS Name: 1-(2-hydroxy-2-phenylethyl)-5-[[oxo-(phenethylamino)methyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-hydroxy-2-phenylethyl)-5-(phenethylcarbamoylamino)pyrazole-4-carboxylate Traditional Name: 1-(2-hydroxy-2-phenyl-ethyl)-5-(phenethylcarbamoylamino)pyrazole-4-carboxylic acid ethyl ester Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)CC(C2=CC=CC=C2)O)NC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)CC(C2=CC=CC=C2)O)NC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H26N4O4/c1-2-31-22(29)19-15-25-27(16-20(28)18-11-7-4-8-12-18)21(19)26-23(30)24-14-13-17-9-5-3-6-10-17/h3-12,15,20,28H,2,13-14,16H2,1H3,(H2,24,26,30)