4-[(2-fluoranyl-4-methoxy-phenyl)methyl]-1-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-[(2-fluoranyl-4-methoxy-phenyl)methyl]-1-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-[(2-fluoro-4-methoxy-phenyl)methyl]-6-(4-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 4-[(2-fluoro-4-methoxyphenyl)methyl]-1-(4-oxanylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-[(2-fluoro-4-methoxyphenyl)methyl]-1-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(2-fluoro-4-methoxy-benzyl)-6-(4-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C25H32FN3O4 MolecularWeight: 457.537683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CC=NC=C4)F

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CC=NC=C4)F

InChI

InChI=1S/C25H32FN3O4/c1-31-22-3-2-21(24(26)12-22)14-28-15-23(33-18-20-4-8-27-9-5-20)16-29(25(30)17-28)13-19-6-10-32-11-7-19/h2-5,8-9,12,19,23H,6-7,10-11,13-18H2,1H3