15C

2-(4-acetylphenyl)-4-methyl-1H-isoindole-1,3(2H)-dione

Created:	2009-08-06
Last modified:	2011-06-04

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1 entries where 15C is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	12

2D diagram of 15C

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Chemical Component Summary
Name	2-(4-acetylphenyl)-4-methyl-1H-isoindole-1,3(2H)-dione
Systematic Name (OpenEye OEToolkits)	2-(4-ethanoylphenyl)-4-methyl-isoindole-1,3-dione
Formula	C₁₇ H₁₃ N O₃
Molecular Weight	279.29
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	O=C(c1ccc(cc1)N3C(=O)c2cccc(c2C3=O)C)C
SMILES	CACTVS	3.352	CC(=O)c1ccc(cc1)N2C(=O)c3cccc(C)c3C2=O
SMILES	OpenEye OEToolkits	1.7.0	Cc1cccc2c1C(=O)N(C2=O)c3ccc(cc3)C(=O)C
Canonical SMILES	CACTVS	3.352	CC(=O)c1ccc(cc1)N2C(=O)c3cccc(C)c3C2=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	Cc1cccc2c1C(=O)N(C2=O)c3ccc(cc3)C(=O)C
InChI	InChI	1.03	InChI=1S/C17H13NO3/c1-10-4-3-5-14-15(10)17(21)18(16(14)20)13-8-6-12(7-9-13)11(2)19/h3-9H,1-2H3
InChIKey	InChI	1.03	RQFQRVRMHYMTAU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	46840165
ChEMBL	CHEMBL1229661

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