6YC

~{N}-(2-methoxyethyl)-~{N}-[[(3~{S})-1-prop-2-ynylpiperidin-3-yl]methyl]naphthalene-2-carboxamide

Created:	2016-07-24
Last modified:	2016-12-14

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1 entries where 6YC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	55
Chiral Atom Count	1
Bond Count	57
Aromatic Bond Count	11

2D diagram of 6YC

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Chemical Component Summary
Name	~{N}-(2-methoxyethyl)-~{N}-[[(3~{S})-1-prop-2-ynylpiperidin-3-yl]methyl]naphthalene-2-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-(2-methoxyethyl)-~{N}-[[(3~{S})-1-prop-2-ynylpiperidin-3-yl]methyl]naphthalene-2-carboxamide
Formula	C₂₃ H₂₈ N₂ O₂
Molecular Weight	364.481
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COCCN(C[CH]1CCCN(CC#C)C1)C(=O)c2ccc3ccccc3c2
SMILES	OpenEye OEToolkits	2.0.5	COCCN(CC1CCCN(C1)CC#C)C(=O)c2ccc3ccccc3c2
Canonical SMILES	CACTVS	3.385	COCCN(C[C@H]1CCCN(CC#C)C1)C(=O)c2ccc3ccccc3c2
Canonical SMILES	OpenEye OEToolkits	2.0.5	COCCN(C[C@H]1CCCN(C1)CC#C)C(=O)c2ccc3ccccc3c2
InChI	InChI	1.03	InChI=1S/C23H28N2O2/c1-3-12-24-13-6-7-19(17-24)18-25(14-15-27-2)23(26)22-11-10-20-8-4-5-9-21(20)16-22/h1,4-5,8-11,16,19H,6-7,12-15,17-18H2,2H3/t19-/m0/s1
InChIKey	InChI	1.03	FTXYXGOUTSVXAQ-IBGZPJMESA-N

Related Resource References

Resource Name	Reference
PubChem	122706715

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