A1EOJ

Summary

Name:	(E)-4-methyl-17-(1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl)-7,10-dioxa-4-aza-1(3,6)-imidazo[1,2-b]pyridazina-2(1,3)-benzenacyclodecaphan-3-one
Formula:	C27 H31 N7 O3
Formal charge:	0
Formula weight:	501.58 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	1.06	InChI=1S/C27H31N7O3/c1-31-8-6-22(7-9-31)33-18-21(16-29-33)23-15-25-28-17-24-19-4-3-5-20(14-19)27(35)32(2)10-11-36-12-13-37-26(23)30-34(24)25/h3-5,14-18,22H,6-13H2,1-2H3
InChIKey	InChI	1.06	ZAIKDCANYQKQAE-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1CCC(CC1)n2cc(cn2)C3=Cc4ncc5n4N=C3OCCOCCN(C)C(=O)c6cccc5c6
SMILES	CACTVS	3.385	CN1CCC(CC1)n2cc(cn2)C3=Cc4ncc5n4N=C3OCCOCCN(C)C(=O)c6cccc5c6
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN1CCC(CC1)n2cc(cn2)c3cc4ncc-5n4nc3OCCOCCN(C(=O)c6cccc5c6)C
SMILES	OpenEye OEToolkits	2.0.7	CN1CCC(CC1)n2cc(cn2)c3cc4ncc-5n4nc3OCCOCCN(C(=O)c6cccc5c6)C