[4-(2-pyrazol-1-ylethanoylamino)phenyl] 3-[(4-bromophenyl)carbonylamino]propanoate

Systemtic Name: [4-(2-pyrazol-1-ylethanoylamino)phenyl] 3-[(4-bromophenyl)carbonylamino]propanoate Openeye Name: [4-[(2-pyrazol-1-ylacetyl)amino]phenyl] 3-[(4-bromobenzoyl)amino]propanoate CAS Name: 3-[[(4-bromophenyl)-oxomethyl]amino]propanoic acid [4-[[1-oxo-2-(1-pyrazolyl)ethyl]amino]phenyl] ester IUPAC Name: [4-[(2-pyrazol-1-ylacetyl)amino]phenyl] 3-[(4-bromobenzoyl)amino]propanoate Traditional Name: 3-[(4-bromobenzoyl)amino]propionic acid [4-[(2-pyrazol-1-ylacetyl)amino]phenyl] ester Formula: C21H19BrN4O4 MolecularWeight: 471.30396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)CC(=O)NC2=CC=C(C=C2)OC(=O)CCNC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CN(N=C1)CC(=O)NC2=CC=C(C=C2)OC(=O)CCNC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H19BrN4O4/c22-16-4-2-15(3-5-16)21(29)23-12-10-20(28)30-18-8-6-17(7-9-18)25-19(27)14-26-13-1-11-24-26/h1-9,11,13H,10,12,14H2,(H,23,29)(H,25,27)