ethyl 5-[(4-fluorophenyl)methylcarbamoylamino]-1-(2-oxidanyl-2-phenyl-ethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(4-fluorophenyl)methylcarbamoylamino]-1-(2-oxidanyl-2-phenyl-ethyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[(4-fluorophenyl)methylcarbamoylamino]-1-(2-hydroxy-2-phenyl-ethyl)pyrazole-4-carboxylate CAS Name: 5-[[[(4-fluorophenyl)methylamino]-oxomethyl]amino]-1-(2-hydroxy-2-phenylethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-fluorophenyl)methylcarbamoylamino]-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate Traditional Name: 5-[(4-fluorobenzyl)carbamoylamino]-1-(2-hydroxy-2-phenyl-ethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C22H23FN4O4 MolecularWeight: 426.440823

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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)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)CC(C2=CC=CC=C2)O)NC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H23FN4O4/c1-2-31-21(29)18-13-25-27(14-19(28)16-6-4-3-5-7-16)20(18)26-22(30)24-12-15-8-10-17(23)11-9-15/h3-11,13,19,28H,2,12,14H2,1H3,(H2,24,26,30)