N-[1-[3,5-bis(fluoranyl)phenyl]-4-[[2-(hydroxymethyl)-1-(3-pyrazol-1-ylphenyl)cyclopropyl]amino]-3-oxidanyl-butan-2-yl]ethanamide

Systemtic Name: N-[1-[3,5-bis(fluoranyl)phenyl]-4-[[2-(hydroxymethyl)-1-(3-pyrazol-1-ylphenyl)cyclopropyl]amino]-3-oxidanyl-butan-2-yl]ethanamide Openeye Name: N-[1-[(3,5-difluorophenyl)methyl]-2-hydroxy-3-[[2-(hydroxymethyl)-1-(3-pyrazol-1-ylphenyl)cyclopropyl]amino]propyl]acetamide CAS Name: N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[2-(hydroxymethyl)-1-[3-(1-pyrazolyl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide IUPAC Name: N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[2-(hydroxymethyl)-1-(3-pyrazol-1-ylphenyl)cyclopropyl]amino]butan-2-yl]acetamide Traditional Name: N-[1-(3,5-difluorobenzyl)-2-hydroxy-3-[[2-methylol-1-(3-pyrazol-1-ylphenyl)cyclopropyl]amino]propyl]acetamide Formula: C25H28F2N4O3 MolecularWeight: 470.511626

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=CC(=C1)F)F)C(CNC2(CC2CO)C3=CC(=CC=C3)N4C=CC=N4)O

Isomeric SMILES

CC(=O)NC(CC1=CC(=CC(=C1)F)F)C(CNC2(CC2CO)C3=CC(=CC=C3)N4C=CC=N4)O

InChI

InChI=1S/C25H28F2N4O3/c1-16(33)30-23(10-17-8-20(26)12-21(27)9-17)24(34)14-28-25(13-19(25)15-32)18-4-2-5-22(11-18)31-7-3-6-29-31/h2-9,11-12,19,23-24,28,32,34H,10,13-15H2,1H3,(H,30,33)