1-[5-(4-bromophenyl)-3-ethyl-5-oxidanyl-4H-pyrazol-1-yl]-4-phenyl-butan-1-one

Systemtic Name: 1-[5-(4-bromophenyl)-3-ethyl-5-oxidanyl-4H-pyrazol-1-yl]-4-phenyl-butan-1-one Openeye Name: 1-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-4-phenyl-butan-1-one CAS Name: 1-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-4-phenyl-1-butanone IUPAC Name: 1-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-4-phenylbutan-1-one Traditional Name: 1-[5-(4-bromophenyl)-3-ethyl-5-hydroxy-2-pyrazolin-1-yl]-4-phenyl-butan-1-one Formula: C21H23BrN2O2 MolecularWeight: 415.32352

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(C1)(C2=CC=C(C=C2)Br)O)C(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CCC1=NN(C(C1)(C2=CC=C(C=C2)Br)O)C(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H23BrN2O2/c1-2-19-15-21(26,17-11-13-18(22)14-12-17)24(23-19)20(25)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-14,26H,2,6,9-10,15H2,1H3