4-[[3-[(4-fluorophenyl)methyl]-1,3-diazinan-1-yl]methyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[[3-[(4-fluorophenyl)methyl]-1,3-diazinan-1-yl]methyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[3-[(4-fluorophenyl)methyl]hexahydropyrimidin-1-yl]methyl]-7-methoxy-chromen-2-one CAS Name: 4-[[3-[(4-fluorophenyl)methyl]-1,3-diazinan-1-yl]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[3-[(4-fluorophenyl)methyl]-1,3-diazinan-1-yl]methyl]-7-methoxychromen-2-one Traditional Name: 4-[[3-(4-fluorobenzyl)hexahydropyrimidin-1-yl]methyl]-7-methoxy-coumarin Formula: C22H23FN2O3 MolecularWeight: 382.428023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCCN(C3)CC4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCCN(C3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN2O3/c1-27-19-7-8-20-17(11-22(26)28-21(20)12-19)14-25-10-2-9-24(15-25)13-16-3-5-18(23)6-4-16/h3-8,11-12H,2,9-10,13-15H2,1H3