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Summary Geometry Related PDB entries

Y1D

Summary

Name:	N-(2,4-difluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
Formula:	C16 H15 F2 N3 O3
Formal charge:	0
Formula weight:	335.305 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(2,4-difluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
OpenEye OEToolkits	2.0.7	~{N}-[2,4-bis(fluoranyl)phenyl]-4-(furan-2-ylcarbonyl)piperazine-1-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N1(CCN(CC1)C(c2ccco2)=O)C(Nc3c(cc(cc3)F)F)=O
InChI	InChI	1.03	InChI=1S/C16H15F2N3O3/c17-11-3-4-13(12(18)10-11)19-16(23)21-7-5-20(6-8-21)15(22)14-2-1-9-24-14/h1-4,9-10H,5-8H2,(H,19,23)
InChIKey	InChI	1.03	DXWYWLDDFFYRBF-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1ccc(NC(=O)N2CCN(CC2)C(=O)c3occc3)c(F)c1
SMILES	CACTVS	3.385	Fc1ccc(NC(=O)N2CCN(CC2)C(=O)c3occc3)c(F)c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(oc1)C(=O)N2CCN(CC2)C(=O)Nc3ccc(cc3F)F
SMILES	OpenEye OEToolkits	2.0.7	c1cc(oc1)C(=O)N2CCN(CC2)C(=O)Nc3ccc(cc3F)F

221051

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