N-[3-(4-bromanylphenoxy)-5-[(1,3-diphenylpyrazol-4-yl)carbonylamino]phenyl]-1,3-diphenyl-pyrazole-4-carboxamide

Systemtic Name: N-[3-(4-bromanylphenoxy)-5-[(1,3-diphenylpyrazol-4-yl)carbonylamino]phenyl]-1,3-diphenyl-pyrazole-4-carboxamide Openeye Name: N-[3-(4-bromophenoxy)-5-[(1,3-diphenylpyrazole-4-carbonyl)amino]phenyl]-1,3-diphenyl-pyrazole-4-carboxamide CAS Name: N-[3-(4-bromophenoxy)-5-[[(1,3-diphenyl-4-pyrazolyl)-oxomethyl]amino]phenyl]-1,3-diphenyl-4-pyrazolecarboxamide IUPAC Name: N-[3-(4-bromophenoxy)-5-[(1,3-diphenylpyrazole-4-carbonyl)amino]phenyl]-1,3-diphenylpyrazole-4-carboxamide Traditional Name: N-[3-(4-bromophenoxy)-5-[(1,3-diphenylpyrazole-4-carbonyl)amino]phenyl]-1,3-diphenyl-pyrazole-4-carboxamide Formula: C44H31BrN6O3 MolecularWeight: 771.65934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC(=CC(=C3)OC4=CC=C(C=C4)Br)NC(=O)C5=CN(N=C5C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=CC(=CC(=C3)OC4=CC=C(C=C4)Br)NC(=O)C5=CN(N=C5C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C44H31BrN6O3/c45-32-21-23-37(24-22-32)54-38-26-33(46-43(52)39-28-50(35-17-9-3-10-18-35)48-41(39)30-13-5-1-6-14-30)25-34(27-38)47-44(53)40-29-51(36-19-11-4-12-20-36)49-42(40)31-15-7-2-8-16-31/h1-29H,(H,46,52)(H,47,53)