1-[(3S)-3-(4-bromophenyl)-5-methyl-3-oxidanyl-1H-pyrazol-2-yl]-4-phenyl-butan-1-one

Systemtic Name: 1-[(3S)-3-(4-bromophenyl)-5-methyl-3-oxidanyl-1H-pyrazol-2-yl]-4-phenyl-butan-1-one Openeye Name: 1-[(3S)-3-(4-bromophenyl)-3-hydroxy-5-methyl-1H-pyrazol-2-yl]-4-phenyl-butan-1-one CAS Name: 1-[(3S)-3-(4-bromophenyl)-3-hydroxy-5-methyl-1H-pyrazol-2-yl]-4-phenyl-1-butanone IUPAC Name: 1-[(3S)-3-(4-bromophenyl)-3-hydroxy-5-methyl-1H-pyrazol-2-yl]-4-phenylbutan-1-one Traditional Name: 1-[(5S)-5-(4-bromophenyl)-5-hydroxy-3-methyl-3-pyrazolin-1-yl]-4-phenyl-butan-1-one Formula: C20H21BrN2O2 MolecularWeight: 401.29694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(N1)C(=O)CCCC2=CC=CC=C2)(C3=CC=C(C=C3)Br)O

Isomeric SMILES

CC1=C[C@@](N(N1)C(=O)CCCC2=CC=CC=C2)(C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C20H21BrN2O2/c1-15-14-20(25,17-10-12-18(21)13-11-17)23(22-15)19(24)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-14,22,25H,5,8-9H2,1H3/t20-/m0/s1