2FC

N-[(8R)-8-(benzoylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-methylpiperazine-1-carboxamide

Created:	2014-03-25
Last modified:	2014-10-29

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1 entries where 2FC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	57
Chiral Atom Count	1
Bond Count	60
Aromatic Bond Count	12

2D diagram of 2FC

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Chemical Component Summary
Name	N-[(8R)-8-(benzoylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-methylpiperazine-1-carboxamide
Systematic Name (OpenEye OEToolkits)	N-[(8R)-8-benzamido-5,6,7,8-tetrahydronaphthalen-2-yl]-4-methyl-piperazine-1-carboxamide
Formula	C₂₃ H₂₈ N₄ O₂
Molecular Weight	392.494
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N1CCN(C)CC1)Nc2cc4c(cc2)CCCC4NC(=O)c3ccccc3
SMILES	CACTVS	3.385	CN1CCN(CC1)C(=O)Nc2ccc3CCC[CH](NC(=O)c4ccccc4)c3c2
SMILES	OpenEye OEToolkits	1.9.2	CN1CCN(CC1)C(=O)Nc2ccc3c(c2)C(CCC3)NC(=O)c4ccccc4
Canonical SMILES	CACTVS	3.385	CN1CCN(CC1)C(=O)Nc2ccc3CCC[C@@H](NC(=O)c4ccccc4)c3c2
Canonical SMILES	OpenEye OEToolkits	1.9.2	CN1CCN(CC1)C(=O)Nc2ccc3c(c2)[C@@H](CCC3)NC(=O)c4ccccc4
InChI	InChI	1.03	InChI=1S/C23H28N4O2/c1-26-12-14-27(15-13-26)23(29)24-19-11-10-17-8-5-9-21(20(17)16-19)25-22(28)18-6-3-2-4-7-18/h2-4,6-7,10-11,16,21H,5,8-9,12-15H2,1H3,(H,24,29)(H,25,28)/t21-/m1/s1
InChIKey	InChI	1.03	QTWWLOSRVGQGNN-OAQYLSRUSA-N

Related Resource References

Resource Name	Reference
PubChem	86208094

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