A1J3A

Summary

Name:	3^{3}-methoxy-1^{7}-(2-(2-(4-methylpiperazin-1-yl)ethoxy)ethoxy)-4,7,10-trioxa-2-aza-1(4,6)-quinolina-3(1,2)-benzenacyclodecaphane-1^{3}-carbonitrile
Formula:	C30 H37 N5 O6
Formal charge:	0
Formula weight:	563.645 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/C30H37N5O6/c1-34-6-8-35(9-7-34)10-11-37-12-15-40-28-19-25-23-18-27(28)39-16-13-38-14-17-41-30-24(4-3-5-26(30)36-2)33-29(23)22(20-31)21-32-25/h3-5,18-19,21,33H,6-17H2,1-2H3
InChIKey	InChI	1.06	MAXXKBSFULMYHL-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cccc2Nc3c(cnc4cc(OCCOCCN5CCN(C)CC5)c(OCCOCCOc12)cc34)C#N
SMILES	CACTVS	3.385	COc1cccc2Nc3c(cnc4cc(OCCOCCN5CCN(C)CC5)c(OCCOCCOc12)cc34)C#N
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN1CCN(CC1)CCOCCOc2cc3c4cc2OCCOCCOc5c(cccc5OC)Nc4c(cn3)C#N
SMILES	OpenEye OEToolkits	2.0.7	CN1CCN(CC1)CCOCCOc2cc3c4cc2OCCOCCOc5c(cccc5OC)Nc4c(cn3)C#N