[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 5-propyl-1H-pyrazole-3-carboxylate

Systemtic Name: [2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 5-propyl-1H-pyrazole-3-carboxylate Openeye Name: [2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxo-ethyl] 5-propyl-1H-pyrazole-3-carboxylate CAS Name: 5-propyl-1H-pyrazole-3-carboxylic acid [2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate Traditional Name: 5-propyl-1H-pyrazole-3-carboxylic acid [2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C17H20BrN3O3 MolecularWeight: 394.263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NN1)C(=O)OCC(=O)NC(C)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCC1=CC(=NN1)C(=O)OCC(=O)N[C@H](C)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H20BrN3O3/c1-3-4-14-9-15(21-20-14)17(23)24-10-16(22)19-11(2)12-5-7-13(18)8-6-12/h5-9,11H,3-4,10H2,1-2H3,(H,19,22)(H,20,21)/t11-/m1/s1