9X0

N-(cyclohexylmethyl)-4-oxo-4H-1-benzopyran-2-carboxamide

Created:	2018-08-22
Last modified:	2019-03-13

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1 entries where 9X0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	6

2D diagram of 9X0

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Chemical Component Summary
Name	N-(cyclohexylmethyl)-4-oxo-4H-1-benzopyran-2-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-(cyclohexylmethyl)-4-oxidanylidene-chromene-2-carboxamide
Formula	C₁₇ H₁₉ N O₃
Molecular Weight	285.338
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c13c(cccc1)C(=O)C=C(C(NCC2CCCCC2)=O)O3
SMILES	CACTVS	3.385	O=C(NCC1CCCCC1)C2=CC(=O)c3ccccc3O2
SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)C(=O)C=C(O2)C(=O)NCC3CCCCC3
Canonical SMILES	CACTVS	3.385	O=C(NCC1CCCCC1)C2=CC(=O)c3ccccc3O2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)C(=O)C=C(O2)C(=O)NCC3CCCCC3
InChI	InChI	1.03	InChI=1S/C17H19NO3/c19-14-10-16(21-15-9-5-4-8-13(14)15)17(20)18-11-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,18,20)
InChIKey	InChI	1.03	ZNVNVRHEGZKDAE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2400619
ChEMBL	CHEMBL549020

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.