2RK

4-[(5Z)-5-(1-nitroso-2,3-dihydro-5H-inden-5-ylidene)-2-(piperidin-4-yl)-3,5-dihydro-4H-imidazol-4-ylidene]-1,4-dihydropyridine

Created:	2014-01-13
Last modified:	2014-03-05

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1 entries where 2RK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	0
Bond Count	55
Aromatic Bond Count	0

2D diagram of 2RK

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Chemical Component Summary
Name	4-[(5Z)-5-(1-nitroso-2,3-dihydro-5H-inden-5-ylidene)-2-(piperidin-4-yl)-3,5-dihydro-4H-imidazol-4-ylidene]-1,4-dihydropyridine
Systematic Name (OpenEye OEToolkits)	4-[4-(1-nitroso-2,3-dihydroinden-5-ylidene)-2-piperidin-4-yl-1H-imidazol-5-ylidene]-1H-pyridine
Formula	C₂₂ H₂₃ N₅ O
Molecular Weight	373.451
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=NC2=C1C=C/C(C=C1CC2)=C\4/N=C(N\C/4=C3\C=CNC=C3)C5CCNCC5
SMILES	CACTVS	3.385	O=NC1=C2C=CC(C=C2CC1)=C3N=C(NC3=C4C=CNC=C4)C5CCNCC5
SMILES	OpenEye OEToolkits	1.7.6	C1CNCCC1C2=NC(=C3C=CC4=C(CCC4=C3)N=O)C(=C5C=CNC=C5)N2
Canonical SMILES	CACTVS	3.385	O=NC1=C2C=C\C(C=C2CC1)=C3\N=C(NC3=C4C=CNC=C4)C5CCNCC5
Canonical SMILES	OpenEye OEToolkits	1.7.6	C1CNCCC1C2=NC(=C3C=CC4=C(CCC4=C3)N=O)C(=C5C=CNC=C5)N2
InChI	InChI	1.03	InChI=1S/C22H23N5O/c28-27-19-4-2-16-13-17(1-3-18(16)19)21-20(14-5-9-23-10-6-14)25-22(26-21)15-7-11-24-12-8-15/h1,3,5-6,9-10,13,15,23-24H,2,4,7-8,11-12H2,(H,25,26)/b21-17-
InChIKey	InChI	1.03	GRRXVMYMOIITEW-FXBPSFAMSA-N

Related Resource References

Resource Name	Reference
PubChem	25137963

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