4-[4-[4-[4-[[(3R)-5-[2,4-bis(fluoranyl)phenyl]-5-(1H-1,2,4-triazol-5-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-propan-2-yl-1,2,4-triazol-3-one

Systemtic Name: 4-[4-[4-[4-[[(3R)-5-[2,4-bis(fluoranyl)phenyl]-5-(1H-1,2,4-triazol-5-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-propan-2-yl-1,2,4-triazol-3-one Openeye Name: 4-[4-[4-[4-[[(3R)-5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-ylmethyl)tetrahydrofuran-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-isopropyl-1,2,4-triazol-3-one CAS Name: 4-[4-[4-[4-[[(3R)-5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-ylmethyl)-3-oxolanyl]methoxy]phenyl]-1-piperazinyl]phenyl]-2-propan-2-yl-1,2,4-triazol-3-one IUPAC Name: 4-[4-[4-[4-[[(3R)-5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-propan-2-yl-1,2,4-triazol-3-one Traditional Name: 4-[4-[4-[4-[[(3R)-5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-ylmethyl)tetrahydrofuran-3-yl]methoxy]phenyl]piperazino]phenyl]-2-isopropyl-1,2,4-triazol-3-one Formula: C35H38F2N8O3 MolecularWeight: 656.724826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5CC(OC5)(CC6=NC=NN6)C7=C(C=C(C=C7)F)F

Isomeric SMILES

CC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5CC(OC5)(CC6=NC=NN6)C7=C(C=C(C=C7)F)F

InChI

InChI=1S/C35H38F2N8O3/c1-24(2)45-34(46)44(23-40-45)29-6-4-27(5-7-29)42-13-15-43(16-14-42)28-8-10-30(11-9-28)47-20-25-18-35(48-21-25,19-33-38-22-39-41-33)31-12-3-26(36)17-32(31)37/h3-12,17,22-25H,13-16,18-21H2,1-2H3,(H,38,39,41)/t25-,35?/m1/s1