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Summary Geometry Related PDB entries

ZNX

Summary

Name:	N-(4-methoxyphenyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
Formula:	C18 H21 N3 O4
Formal charge:	0
Formula weight:	343.377 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(4-methoxyphenyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
OpenEye OEToolkits	2.0.7	~{N}-(4-methoxyphenyl)-4-(5-methylfuran-2-yl)carbonyl-piperazine-1-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1ccc(o1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(OC)cc1
InChI	InChI	1.06	InChI=1S/C18H21N3O4/c1-13-3-8-16(25-13)17(22)20-9-11-21(12-10-20)18(23)19-14-4-6-15(24-2)7-5-14/h3-8H,9-12H2,1-2H3,(H,19,23)
InChIKey	InChI	1.06	AAELWDSJMNFYDT-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc(NC(=O)N2CCN(CC2)C(=O)c3oc(C)cc3)cc1
SMILES	CACTVS	3.385	COc1ccc(NC(=O)N2CCN(CC2)C(=O)c3oc(C)cc3)cc1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)Nc3ccc(cc3)OC
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)Nc3ccc(cc3)OC

222415

数据于2024-07-10公开中

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