O7K

Summary

Name:	pyrazinoquinolinone
Synonyms:	(2R,4aR)-3-acryloyl-11-chloro-9-fluoro-10-(2-fluoro-6-hydroxyphenyl)-2,6-dimethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1',2':4,5]pyrazino[2,3-c]quinolin-5(6H)-one.
Formula:	C25 H23 Cl F2 N4 O3
Formal charge:	0
Formula weight:	500.925 Da
Component type:	non-polymer
Ambiguous Chemistry Warning:	The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution.

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C25H23ClF2N4O3/c1-4-19(34)31-11-17-25(35)30(3)16-9-29-23-13(24(16)32(17)10-12(31)2)8-14(26)20(22(23)28)21-15(27)6-5-7-18(21)33/h5-9,12,17,33H,4,10-11H2,1-3H3/t12-,17-/m1/s1
InChIKey	InChI	1.03	PJYYTOVRCBFDTN-SJKOYZFVSA-N
SMILES_CANONICAL	CACTVS	3.385	CCC(=O)N1C[C@H]2N(C[C@H]1C)c3c(cnc4c(F)c(c(Cl)cc34)c5c(O)cccc5F)N(C)C2=O
SMILES	CACTVS	3.385	CCC(=O)N1C[CH]2N(C[CH]1C)c3c(cnc4c(F)c(c(Cl)cc34)c5c(O)cccc5F)N(C)C2=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCC(=O)N1C[C@@H]2C(=O)N(c3cnc4c(c3N2C[C@H]1C)cc(c(c4F)c5c(cccc5F)O)Cl)C
SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)N1CC2C(=O)N(c3cnc4c(c3N2CC1C)cc(c(c4F)c5c(cccc5F)O)Cl)C