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

Systemtic Name: (5S)-3-[2,5-bis(fluoranyl)phenyl]-N-(6-fluoranyl-1-methyl-azepan-4-yl)-5-(hydroxymethyl)-N-(2-methylpropyl)-5-phenyl-2H-pyrrole-1-carboxamide Openeye Name: (5S)-3-(2,5-difluorophenyl)-N-(6-fluoro-1-methyl-azepan-4-yl)-5-(hydroxymethyl)-N-isobutyl-5-phenyl-2H-pyrrole-1-carboxamide CAS Name: (5S)-3-(2,5-difluorophenyl)-N-(6-fluoro-1-methyl-4-azepanyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-5-phenyl-2H-pyrrole-1-carboxamide IUPAC Name: (5S)-3-(2,5-difluorophenyl)-N-(6-fluoro-1-methylazepan-4-yl)-5-(hydroxymethyl)-N-(2-methylpropyl)-5-phenyl-2H-pyrrole-1-carboxamide Traditional Name: (2S)-4-(2,5-difluorophenyl)-N-(6-fluoro-1-methyl-azepan-4-yl)-N-isobutyl-2-methylol-2-phenyl-3-pyrroline-1-carboxamide Formula: C29H36F3N3O2 MolecularWeight: 515.61025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CN(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/C29H36F3N3O2/c1-20(2)16-34(25-11-12-33(3)18-24(31)13-25)28(37)35-17-21(26-14-23(30)9-10-27(26)32)15-29(35,19-36)22-7-5-4-6-8-22/h4-10,14-15,20,24-25,36H,11-13,16-19H2,1-3H3/t24?,25?,29-/m1/s1