3F9

N-{[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N-(2-methoxyethyl)naphthalene-2-carboxamide

Created:	2014-08-07
Last modified:	2014-10-22

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1 entries where 3F9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	67
Chiral Atom Count	1
Bond Count	71
Aromatic Bond Count	17

2D diagram of 3F9

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Chemical Component Summary
Name	N-{[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N-(2-methoxyethyl)naphthalene-2-carboxamide
Systematic Name (OpenEye OEToolkits)	N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)naphthalene-2-carboxamide
Formula	C₂₉ H₃₄ N₂ O₂
Molecular Weight	442.592
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c2cc1ccccc1cc2)N(CCOC)CC5CCCN(C4Cc3ccccc3C4)C5
SMILES	CACTVS	3.385	COCCN(C[CH]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5ccccc5c4
SMILES	OpenEye OEToolkits	1.9.2	COCCN(CC1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5ccccc5c4
Canonical SMILES	CACTVS	3.385	COCCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5ccccc5c4
Canonical SMILES	OpenEye OEToolkits	1.9.2	COCCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5ccccc5c4
InChI	InChI	1.03	InChI=1S/C29H34N2O2/c1-33-16-15-31(29(32)27-13-12-23-8-2-3-9-24(23)17-27)21-22-7-6-14-30(20-22)28-18-25-10-4-5-11-26(25)19-28/h2-5,8-13,17,22,28H,6-7,14-16,18-21H2,1H3/t22-/m1/s1
InChIKey	InChI	1.03	NRBCHFHGWACYAH-JOCHJYFZSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3338394
PubChem	25396473
ChEMBL	CHEMBL3338394

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