1-[(3R)-3-(5-bromanyl-2-oxidanyl-phenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 1-[(3R)-3-(5-bromanyl-2-oxidanyl-phenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[(3R)-3-(5-bromo-2-hydroxy-phenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[(3R)-3-(5-bromo-2-hydroxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[(3R)-3-(5-bromo-2-hydroxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[(5R)-5-(5-bromo-2-hydroxy-phenyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]ethanone Formula: C18H17BrN2O3 MolecularWeight: 389.24318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)OC)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

CC(=O)N1[C@H](CC(=N1)C2=CC=C(C=C2)OC)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C18H17BrN2O3/c1-11(22)21-17(15-9-13(19)5-8-18(15)23)10-16(20-21)12-3-6-14(24-2)7-4-12/h3-9,17,23H,10H2,1-2H3/t17-/m1/s1