HZW

(3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide

Created:	2019-01-08
Last modified:	2019-05-01

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1 entries where HZW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	1
Bond Count	43
Aromatic Bond Count	12

2D diagram of HZW

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Chemical Component Summary
Name	(3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide
Systematic Name (OpenEye OEToolkits)	(3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide
Formula	C₁₈ H₁₆ Cl F N₂ O₃
Molecular Weight	362.783
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O[C]1(CCN(C1=O)c2ccccc2)C(=O)NCc3cc(F)cc(Cl)c3
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)N2CCC(C2=O)(C(=O)NCc3cc(cc(c3)Cl)F)O
Canonical SMILES	CACTVS	3.385	O[C@@]1(CCN(C1=O)c2ccccc2)C(=O)NCc3cc(F)cc(Cl)c3
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)N2CC[C@@](C2=O)(C(=O)NCc3cc(cc(c3)Cl)F)O
InChI	InChI	1.03	InChI=1S/C18H16ClFN2O3/c19-13-8-12(9-14(20)10-13)11-21-16(23)18(25)6-7-22(17(18)24)15-4-2-1-3-5-15/h1-5,8-10,25H,6-7,11H2,(H,21,23)/t18-/m0/s1
InChIKey	InChI	1.03	GYXUHDDOWYYRFT-SFHVURJKSA-N

Related Resource References

Resource Name	Reference
PubChem	89893711

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