4-[4-(5-fluoranyl-2-methoxy-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl]-1,4-diazepane-1-carbaldehyde

Systemtic Name: 4-[4-(5-fluoranyl-2-methoxy-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl]-1,4-diazepane-1-carbaldehyde Openeye Name: 4-[4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1,4-diazepane-1-carbaldehyde CAS Name: 4-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1,4-diazepane-1-carbaldehyde Traditional Name: 4-[4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1,4-diazepane-1-carbaldehyde Formula: C20H28F4N2O3 MolecularWeight: 420.441533

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(CN1CCCN(CC1)C=O)(C(F)(F)F)O)C2=C(C=CC(=C2)F)OC

Isomeric SMILES

CC(C)(CC(CN1CCCN(CC1)C=O)(C(F)(F)F)O)C2=C(C=CC(=C2)F)OC

InChI

InChI=1S/C20H28F4N2O3/c1-18(2,16-11-15(21)5-6-17(16)29-3)12-19(28,20(22,23)24)13-25-7-4-8-26(14-27)10-9-25/h5-6,11,14,28H,4,7-10,12-13H2,1-3H3