(5S)-3-[2,5-bis(fluoranyl)phenyl]-N-[6-fluoranyl-1-(pyridin-2-ylmethyl)azepan-4-yl]-5-(hydroxymethyl)-N-methyl-5-phenyl-2H-pyrrole-1-carboxamide

Systemtic Name: (5S)-3-[2,5-bis(fluoranyl)phenyl]-N-[6-fluoranyl-1-(pyridin-2-ylmethyl)azepan-4-yl]-5-(hydroxymethyl)-N-methyl-5-phenyl-2H-pyrrole-1-carboxamide Openeye Name: (5S)-3-(2,5-difluorophenyl)-N-[6-fluoro-1-(2-pyridylmethyl)azepan-4-yl]-5-(hydroxymethyl)-N-methyl-5-phenyl-2H-pyrrole-1-carboxamide CAS Name: (5S)-3-(2,5-difluorophenyl)-N-[6-fluoro-1-(2-pyridinylmethyl)-4-azepanyl]-5-(hydroxymethyl)-N-methyl-5-phenyl-2H-pyrrole-1-carboxamide IUPAC Name: (5S)-3-(2,5-difluorophenyl)-N-[6-fluoro-1-(pyridin-2-ylmethyl)azepan-4-yl]-5-(hydroxymethyl)-N-methyl-5-phenyl-2H-pyrrole-1-carboxamide Traditional Name: (2S)-4-(2,5-difluorophenyl)-N-[6-fluoro-1-(2-pyridylmethyl)azepan-4-yl]-N-methyl-2-methylol-2-phenyl-3-pyrroline-1-carboxamide Formula: C31H33F3N4O2 MolecularWeight: 550.61453

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC(C1)F)CC2=CC=CC=N2)C(=O)N3CC(=CC3(CO)C4=CC=CC=C4)C5=C(C=CC(=C5)F)F

Isomeric SMILES

CN(C1CCN(CC(C1)F)CC2=CC=CC=N2)C(=O)N3CC(=C[C@@]3(CO)C4=CC=CC=C4)C5=C(C=CC(=C5)F)F

InChI

InChI=1S/C31H33F3N4O2/c1-36(27-12-14-37(19-25(33)15-27)20-26-9-5-6-13-35-26)30(40)38-18-22(28-16-24(32)10-11-29(28)34)17-31(38,21-39)23-7-3-2-4-8-23/h2-11,13,16-17,25,27,39H,12,14-15,18-21H2,1H3/t25?,27?,31-/m1/s1