1WQ

(2S)-6-{[4-(4-chlorophenyl)-3,6-dihydropyridin-1(2H)-yl]methyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one



Chemical Component Summary

Name(2S)-6-{[4-(4-chlorophenyl)-3,6-dihydropyridin-1(2H)-yl]methyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Identifiers(2S)-6-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methyl-4H-1,4-benzoxazin-3-one
FormulaC21 H21 Cl N2 O2
Molecular Weight368.857
TypeNON-POLYMER
Isomeric SMILESC[C@H]1C(=O)Nc2cc(ccc2O1)CN3CCC(=CC3)c4ccc(cc4)Cl
InChIInChI=1S/C21H21ClN2O2/c1-14-21(25)23-19-12-15(2-7-20(19)26-14)13-24-10-8-17(9-11-24)16-3-5-18(22)6-4-16/h2-8,12,14H,9-11,13H2,1H3,(H,23,25)/t14-/m0/s1
InChIKeyUXKGKMDPTXLNNA-AWEZNQCLSA-N

Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count1
Bond Count50
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 66717023