AEW

1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1H)-one

Created:	2011-07-13
Last modified:	2014-09-05

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2 entries where AEW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	0
Bond Count	49
Aromatic Bond Count	6

2D diagram of AEW

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Chemical Component Summary
Name	1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1H)-one
Systematic Name (OpenEye OEToolkits)	1-[(3-azanyl-2-methyl-phenyl)methyl]-4-hexyl-pyridin-2-one
Formula	C₁₉ H₂₆ N₂ O
Molecular Weight	298.423
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1C=C(C=CN1Cc2c(c(N)ccc2)C)CCCCCC
SMILES	CACTVS	3.385	CCCCCCC1=CC(=O)N(Cc2cccc(N)c2C)C=C1
SMILES	OpenEye OEToolkits	1.9.2	CCCCCCC1=CC(=O)N(C=C1)Cc2cccc(c2C)N
Canonical SMILES	CACTVS	3.385	CCCCCCC1=CC(=O)N(Cc2cccc(N)c2C)C=C1
Canonical SMILES	OpenEye OEToolkits	1.9.2	CCCCCCC1=CC(=O)N(C=C1)Cc2cccc(c2C)N
InChI	InChI	1.03	InChI=1S/C19H26N2O/c1-3-4-5-6-8-16-11-12-21(19(22)13-16)14-17-9-7-10-18(20)15(17)2/h7,9-13H,3-6,8,14,20H2,1-2H3
InChIKey	InChI	1.03	PJADLCYVDLAZCT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	54765334

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