VNT

N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

Created:	2012-08-01
Last modified:	2013-07-17

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1 entries where VNT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	1
Bond Count	57
Aromatic Bond Count	28

2D diagram of VNT

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Chemical Component Summary
Name	N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
Systematic Name (OpenEye OEToolkits)	N-[(1R)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
Formula	C₂₅ H₁₈ Cl₂ N₆ O₂
Molecular Weight	505.355
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccc(c(Cl)c1)C(NC(=O)c4ccc(c2nnc(o2)c3ccccc3)cc4)Cn5ncnc5
SMILES	CACTVS	3.385	Clc1ccc([CH](Cn2cncn2)NC(=O)c3ccc(cc3)c4oc(nn4)c5ccccc5)c(Cl)c1
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)NC(Cn4cncn4)c5ccc(cc5Cl)Cl
Canonical SMILES	CACTVS	3.385	Clc1ccc([C@H](Cn2cncn2)NC(=O)c3ccc(cc3)c4oc(nn4)c5ccccc5)c(Cl)c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4cncn4)c5ccc(cc5Cl)Cl
InChI	InChI	1.03	InChI=1S/C25H18Cl2N6O2/c26-19-10-11-20(21(27)12-19)22(13-33-15-28-14-29-33)30-23(34)16-6-8-18(9-7-16)25-32-31-24(35-25)17-4-2-1-3-5-17/h1-12,14-15,22H,13H2,(H,30,34)/t22-/m0/s1
InChIKey	InChI	1.03	KSMSKLCCSVEWDM-QFIPXVFZSA-N

Related Resource References

Resource Name	Reference
PubChem	137350126

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