(5S)-3-[2,5-bis(fluoranyl)phenyl]-N-[7-(fluoranylmethyl)-1-methyl-azepan-4-yl]-5-(hydroxymethyl)-5-(3-hydroxyphenyl)-N-methyl-2H-pyrrole-1-carboxamide

Systemtic Name: (5S)-3-[2,5-bis(fluoranyl)phenyl]-N-[7-(fluoranylmethyl)-1-methyl-azepan-4-yl]-5-(hydroxymethyl)-5-(3-hydroxyphenyl)-N-methyl-2H-pyrrole-1-carboxamide Openeye Name: (5S)-3-(2,5-difluorophenyl)-N-[7-(fluoromethyl)-1-methyl-azepan-4-yl]-5-(hydroxymethyl)-5-(3-hydroxyphenyl)-N-methyl-2H-pyrrole-1-carboxamide CAS Name: (5S)-3-(2,5-difluorophenyl)-N-[7-(fluoromethyl)-1-methyl-4-azepanyl]-5-(hydroxymethyl)-5-(3-hydroxyphenyl)-N-methyl-2H-pyrrole-1-carboxamide IUPAC Name: (5S)-3-(2,5-difluorophenyl)-N-[7-(fluoromethyl)-1-methylazepan-4-yl]-5-(hydroxymethyl)-5-(3-hydroxyphenyl)-N-methyl-2H-pyrrole-1-carboxamide Traditional Name: (2S)-4-(2,5-difluorophenyl)-N-[7-(fluoromethyl)-1-methyl-azepan-4-yl]-2-(3-hydroxyphenyl)-N-methyl-2-methylol-3-pyrroline-1-carboxamide Formula: C27H32F3N3O3 MolecularWeight: 503.55649

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CCC1CF)N(C)C(=O)N2CC(=CC2(CO)C3=CC(=CC=C3)O)C4=C(C=CC(=C4)F)F

Isomeric SMILES

CN1CCC(CCC1CF)N(C)C(=O)N2CC(=C[C@@]2(CO)C3=CC(=CC=C3)O)C4=C(C=CC(=C4)F)F

InChI

InChI=1S/C27H32F3N3O3/c1-31-11-10-21(7-8-22(31)15-28)32(2)26(36)33-16-18(24-13-20(29)6-9-25(24)30)14-27(33,17-34)19-4-3-5-23(35)12-19/h3-6,9,12-14,21-22,34-35H,7-8,10-11,15-17H2,1-2H3/t21?,22?,27-/m1/s1