(2S,3S)-2-azanyl-3-(4-bromophenyl)-1-[(3S)-3-fluoranylpyrrolidin-1-yl]butan-1-one

Systemtic Name: (2S,3S)-2-azanyl-3-(4-bromophenyl)-1-[(3S)-3-fluoranylpyrrolidin-1-yl]butan-1-one Openeye Name: (2S,3S)-2-amino-3-(4-bromophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]butan-1-one CAS Name: (2S,3S)-2-amino-3-(4-bromophenyl)-1-[(3S)-3-fluoro-1-pyrrolidinyl]-1-butanone IUPAC Name: (2S,3S)-2-amino-3-(4-bromophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]butan-1-one Traditional Name: (2S,3S)-2-amino-3-(4-bromophenyl)-1-[(3S)-3-fluoropyrrolidino]butan-1-one Formula: C14H18BrFN2O MolecularWeight: 329.207923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)C(C(=O)N2CCC(C2)F)N

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)Br)[C@@H](C(=O)N2CC[C@@H](C2)F)N

InChI

InChI=1S/C14H18BrFN2O/c1-9(10-2-4-11(15)5-3-10)13(17)14(19)18-7-6-12(16)8-18/h2-5,9,12-13H,6-8,17H2,1H3/t9-,12-,13-/m0/s1