1T4

N-(pyren-1-yl)acetamide

Created:	2013-05-25
Last modified:	2024-09-27

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3 entries where 1T4 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	19

2D diagram of 1T4

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Chemical Component Summary
Name	N-(pyren-1-yl)acetamide
Systematic Name (OpenEye OEToolkits)	N-pyren-1-ylethanamide
Formula	C₁₈ H₁₃ N O
Molecular Weight	259.302
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc4ccc2ccc1cccc3c1c2c4cc3)C
SMILES	CACTVS	3.370	CC(=O)Nc1ccc2ccc3cccc4ccc1c2c34
SMILES	OpenEye OEToolkits	1.7.6	CC(=O)Nc1ccc2ccc3cccc4c3c2c1cc4
Canonical SMILES	CACTVS	3.370	CC(=O)Nc1ccc2ccc3cccc4ccc1c2c34
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC(=O)Nc1ccc2ccc3cccc4c3c2c1cc4
InChI	InChI	1.03	InChI=1S/C18H13NO/c1-11(20)19-16-10-8-14-6-5-12-3-2-4-13-7-9-15(16)18(14)17(12)13/h2-10H,1H3,(H,19,20)
InChIKey	InChI	1.03	GJNGMQYHOZFQNX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	255653
ChEMBL	CHEMBL1346213

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