IEO

3-cyano-4-(piperidin-4-yloxy)-1H-indole-7-carboxamide

Created:	2013-04-10
Last modified:	2014-09-05

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1 entries where IEO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	10

2D diagram of IEO

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Chemical Component Summary
Name	3-cyano-4-(piperidin-4-yloxy)-1H-indole-7-carboxamide
Systematic Name (OpenEye OEToolkits)	3-cyano-4-piperidin-4-yloxy-1H-indole-7-carboxamide
Formula	C₁₅ H₁₆ N₄ O₂
Molecular Weight	284.313
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N)c2ccc(OC1CCNCC1)c3c2ncc3C#N
SMILES	CACTVS	3.385	NC(=O)c1ccc(OC2CCNCC2)c3c1[nH]cc3C#N
SMILES	OpenEye OEToolkits	1.9.2	c1cc(c2c(c[nH]c2c1C(=O)N)C#N)OC3CCNCC3
Canonical SMILES	CACTVS	3.385	NC(=O)c1ccc(OC2CCNCC2)c3c1[nH]cc3C#N
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc(c2c(c[nH]c2c1C(=O)N)C#N)OC3CCNCC3
InChI	InChI	1.03	InChI=1S/C15H16N4O2/c16-7-9-8-19-14-11(15(17)20)1-2-12(13(9)14)21-10-3-5-18-6-4-10/h1-2,8,10,18-19H,3-6H2,(H2,17,20)
InChIKey	InChI	1.03	LJQBAOLMNHGSQC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	71581421
ChEMBL	CHEMBL3330171

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