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Summary Geometry Related PDB entries

Y7B

Summary

Name:	2-ethanoyl-~{N}-(4-morpholin-4-ylphenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide
Formula:	C24 H26 N4 O3
Formal charge:	0
Formula weight:	418.488 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	2-ethanoyl-~{N}-(4-morpholin-4-ylphenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C24H26N4O3/c1-16(29)28-9-8-23-21(15-28)20-14-17(2-7-22(20)26-23)24(30)25-18-3-5-19(6-4-18)27-10-12-31-13-11-27/h2-7,14,26H,8-13,15H2,1H3,(H,25,30)
InChIKey	InChI	1.06	SWCZIQFQNPAUEC-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(=O)N1CCc2[nH]c3ccc(cc3c2C1)C(=O)Nc4ccc(cc4)N5CCOCC5
SMILES	CACTVS	3.385	CC(=O)N1CCc2[nH]c3ccc(cc3c2C1)C(=O)Nc4ccc(cc4)N5CCOCC5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(=O)N1CCc2c(c3cc(ccc3[nH]2)C(=O)Nc4ccc(cc4)N5CCOCC5)C1
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)N1CCc2c(c3cc(ccc3[nH]2)C(=O)Nc4ccc(cc4)N5CCOCC5)C1

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