propan-2-yl 4-[[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 4-[[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]carbonylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoyl]amino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[[3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoyl]amino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C22H26BrN5O3 MolecularWeight: 488.37754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=CC(=CC=C2)CN3C(=C(C(=N3)C)Br)C

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=CC(=CC=C2)CN3C(=C(C(=N3)C)Br)C

InChI

InChI=1S/C22H26BrN5O3/c1-6-27-12-18(20(26-27)22(30)31-13(2)3)24-21(29)17-9-7-8-16(10-17)11-28-15(5)19(23)14(4)25-28/h7-10,12-13H,6,11H2,1-5H3,(H,24,29)