BXL

(3E)-N~8~-(2-aminophenyl)-N~1~-phenyloct-3-enediamide

Created:	2010-05-07
Last modified:	2011-06-04

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1 entries where BXL 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	12

2D diagram of BXL

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Chemical Component Summary
Name	(3E)-N~8~-(2-aminophenyl)-N~1~-phenyloct-3-enediamide
Systematic Name (OpenEye OEToolkits)	(E)-N'-(2-aminophenyl)-N-phenyl-oct-3-enediamide
Formula	C₂₀ H₂₃ N₃ O₂
Molecular Weight	337.416
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1ccccc1N)CCC/C=C/CC(=O)Nc2ccccc2
SMILES	CACTVS	3.370	Nc1ccccc1NC(=O)CCCC=CCC(=O)Nc2ccccc2
SMILES	OpenEye OEToolkits	1.7.0	c1ccc(cc1)NC(=O)CC=CCCCC(=O)Nc2ccccc2N
Canonical SMILES	CACTVS	3.370	Nc1ccccc1NC(=O)CCC/C=C/CC(=O)Nc2ccccc2
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc(cc1)NC(=O)C/C=C/CCCC(=O)Nc2ccccc2N
InChI	InChI	1.03	InChI=1S/C20H23N3O2/c21-17-12-8-9-13-18(17)23-20(25)15-7-2-1-6-14-19(24)22-16-10-4-3-5-11-16/h1,3-6,8-13H,2,7,14-15,21H2,(H,22,24)(H,23,25)/b6-1+
InChIKey	InChI	1.03	WWKBRKDVEBSJBW-LZCJLJQNSA-N

Related Resource References

Resource Name	Reference
PubChem	137349036

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