[5-(4-bromophenyl)-3-ethyl-5-oxidanyl-4H-pyrazol-1-yl]-(4-iodophenyl)methanone

Systemtic Name: [5-(4-bromophenyl)-3-ethyl-5-oxidanyl-4H-pyrazol-1-yl]-(4-iodophenyl)methanone Openeye Name: [5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(4-iodophenyl)methanone CAS Name: [5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(4-iodophenyl)methanone IUPAC Name: [5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(4-iodophenyl)methanone Traditional Name: [5-(4-bromophenyl)-3-ethyl-5-hydroxy-2-pyrazolin-1-yl]-(4-iodophenyl)methanone Formula: C18H16BrIN2O2 MolecularWeight: 499.14031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(C1)(C2=CC=C(C=C2)Br)O)C(=O)C3=CC=C(C=C3)I

Isomeric SMILES

CCC1=NN(C(C1)(C2=CC=C(C=C2)Br)O)C(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C18H16BrIN2O2/c1-2-16-11-18(24,13-5-7-14(19)8-6-13)22(21-16)17(23)12-3-9-15(20)10-4-12/h3-10,24H,2,11H2,1H3