Chemical Component Summary

Name(4aS)-2-methyl-3-(4-phenoxyphenyl)-5,6,7,8-tetrahydroquinolin-4(4aH)-one
Identifiers2-methyl-3-(4-phenoxyphenyl)-5,6,7,8-tetrahydro-4~{a}~{H}-quinolin-4-one
FormulaC22 H21 N O2
Molecular Weight331.408
TypeNON-POLYMER
Isomeric SMILESCC1=C(C(=O)C2CCCCC2=N1)c3ccc(cc3)Oc4ccccc4
InChIInChI=1S/C22H21NO2/c1-15-21(22(24)19-9-5-6-10-20(19)23-15)16-11-13-18(14-12-16)25-17-7-3-2-4-8-17/h2-4,7-8,11-14,19H,5-6,9-10H2,1H3/t19-/m0/s1
InChIKeyHIEQRZFLXIDNCA-IBGZPJMESA-N

Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count1
Bond Count49
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 137349750