4-(3-fluoranyl-4-methoxy-phenyl)carbonyl-1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-(3-fluoranyl-4-methoxy-phenyl)carbonyl-1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(3-fluoro-4-methoxy-benzoyl)-6-(3-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 4-[(3-fluoro-4-methoxyphenyl)-oxomethyl]-1-(4-oxanylmethyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-(3-fluoro-4-methoxybenzoyl)-1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(3-fluoro-4-methoxy-benzoyl)-6-(3-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C25H30FN3O5 MolecularWeight: 471.521203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CN=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC(CN(C(=O)C2)CC3CCOCC3)OCC4=CN=CC=C4)F

InChI

InChI=1S/C25H30FN3O5/c1-32-23-5-4-20(11-22(23)26)25(31)29-15-21(34-17-19-3-2-8-27-12-19)14-28(24(30)16-29)13-18-6-9-33-10-7-18/h2-5,8,11-12,18,21H,6-7,9-10,13-17H2,1H3