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

Systemtic Name: (5S)-3-[2,5-bis(fluoranyl)phenyl]-N-ethyl-N-(6-fluoranyl-1-methyl-azepan-4-yl)-5-(hydroxymethyl)-5-phenyl-2H-pyrrole-1-carboxamide Openeye Name: (5S)-3-(2,5-difluorophenyl)-N-ethyl-N-(6-fluoro-1-methyl-azepan-4-yl)-5-(hydroxymethyl)-5-phenyl-2H-pyrrole-1-carboxamide CAS Name: (5S)-3-(2,5-difluorophenyl)-N-ethyl-N-(6-fluoro-1-methyl-4-azepanyl)-5-(hydroxymethyl)-5-phenyl-2H-pyrrole-1-carboxamide IUPAC Name: (5S)-3-(2,5-difluorophenyl)-N-ethyl-N-(6-fluoro-1-methylazepan-4-yl)-5-(hydroxymethyl)-5-phenyl-2H-pyrrole-1-carboxamide Traditional Name: (2S)-4-(2,5-difluorophenyl)-N-ethyl-N-(6-fluoro-1-methyl-azepan-4-yl)-2-methylol-2-phenyl-3-pyrroline-1-carboxamide Formula: C27H32F3N3O2 MolecularWeight: 487.55709

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCN(CC(C1)F)C)C(=O)N2CC(=CC2(CO)C3=CC=CC=C3)C4=C(C=CC(=C4)F)F

Isomeric SMILES

CCN(C1CCN(CC(C1)F)C)C(=O)N2CC(=C[C@@]2(CO)C3=CC=CC=C3)C4=C(C=CC(=C4)F)F

InChI

InChI=1S/C27H32F3N3O2/c1-3-32(23-11-12-31(2)17-22(29)13-23)26(35)33-16-19(24-14-21(28)9-10-25(24)30)15-27(33,18-34)20-7-5-4-6-8-20/h4-10,14-15,22-23,34H,3,11-13,16-18H2,1-2H3/t22?,23?,27-/m1/s1