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

Systemtic Name: (5S)-3-[2,5-bis(fluoranyl)phenyl]-N-[7-(fluoranylmethyl)-1-(phenylmethyl)azepan-4-yl]-5-(hydroxymethyl)-N-methyl-5-phenyl-2H-pyrrole-1-carboxamide Openeye Name: (5S)-N-[1-benzyl-7-(fluoromethyl)azepan-4-yl]-3-(2,5-difluorophenyl)-5-(hydroxymethyl)-N-methyl-5-phenyl-2H-pyrrole-1-carboxamide CAS Name: (5S)-3-(2,5-difluorophenyl)-N-[7-(fluoromethyl)-1-(phenylmethyl)-4-azepanyl]-5-(hydroxymethyl)-N-methyl-5-phenyl-2H-pyrrole-1-carboxamide IUPAC Name: (5S)-N-[1-benzyl-7-(fluoromethyl)azepan-4-yl]-3-(2,5-difluorophenyl)-5-(hydroxymethyl)-N-methyl-5-phenyl-2H-pyrrole-1-carboxamide Traditional Name: (2S)-N-[1-benzyl-7-(fluoromethyl)azepan-4-yl]-4-(2,5-difluorophenyl)-N-methyl-2-methylol-2-phenyl-3-pyrroline-1-carboxamide Formula: C33H36F3N3O2 MolecularWeight: 563.65305

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(N(CC1)CC2=CC=CC=C2)CF)C(=O)N3CC(=CC3(CO)C4=CC=CC=C4)C5=C(C=CC(=C5)F)F

Isomeric SMILES

CN(C1CCC(N(CC1)CC2=CC=CC=C2)CF)C(=O)N3CC(=C[C@@]3(CO)C4=CC=CC=C4)C5=C(C=CC(=C5)F)F

InChI

InChI=1S/C33H36F3N3O2/c1-37(28-13-14-29(20-34)38(17-16-28)21-24-8-4-2-5-9-24)32(41)39-22-25(30-18-27(35)12-15-31(30)36)19-33(39,23-40)26-10-6-3-7-11-26/h2-12,15,18-19,28-29,40H,13-14,16-17,20-23H2,1H3/t28?,29?,33-/m1/s1