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

Systemtic Name: ethyl 5-[(2-bromophenyl)methylcarbamoylamino]-1-(2-oxidanyl-2-phenyl-ethyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[(2-bromophenyl)methylcarbamoylamino]-1-(2-hydroxy-2-phenyl-ethyl)pyrazole-4-carboxylate CAS Name: 5-[[[(2-bromophenyl)methylamino]-oxomethyl]amino]-1-(2-hydroxy-2-phenylethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-bromophenyl)methylcarbamoylamino]-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate Traditional Name: 5-[(2-bromobenzyl)carbamoylamino]-1-(2-hydroxy-2-phenyl-ethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C22H23BrN4O4 MolecularWeight: 487.34642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)CC(C2=CC=CC=C2)O)NC(=O)NCC3=CC=CC=C3Br

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)CC(C2=CC=CC=C2)O)NC(=O)NCC3=CC=CC=C3Br

InChI

InChI=1S/C22H23BrN4O4/c1-2-31-21(29)17-13-25-27(14-19(28)15-8-4-3-5-9-15)20(17)26-22(30)24-12-16-10-6-7-11-18(16)23/h3-11,13,19,28H,2,12,14H2,1H3,(H2,24,26,30)