A1MA7

Summary

Name:	YK01-b
Formula:	C23 H29 N3
Formal charge:	0
Formula weight:	347.496 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/C23H29N3/c1-24-11-17-7-9-19(10-8-17)13-26-15-21-20-14-25(16-22(26)23(20)21)12-18-5-3-2-4-6-18/h2-10,20-24H,11-16H2,1H3/t20-,21+,22-,23-/m1/s1
InChIKey	InChI	1.06	LTNLSXQNFWGKTL-KAOXLYBCSA-N
SMILES_CANONICAL	CACTVS	3.385	CNCc1ccc(CN2C[C@H]3[C@H]4CN(C[C@@H]2[C@@H]34)Cc5ccccc5)cc1
SMILES	CACTVS	3.385	CNCc1ccc(CN2C[CH]3[CH]4CN(C[CH]2[CH]34)Cc5ccccc5)cc1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CNCc1ccc(cc1)CN2C[C@H]3[C@@H]4[C@H]3[C@H]2CN(C4)Cc5ccccc5
SMILES	OpenEye OEToolkits	2.0.7	CNCc1ccc(cc1)CN2CC3C4C3C2CN(C4)Cc5ccccc5