S0I

4-benzyl-3,4-dihydroquinoxalin-2(1H)-one

Created:	2013-11-07
Last modified:	2014-04-16

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2 entries where S0I is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	12

2D diagram of S0I

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Chemical Component Summary
Name	4-benzyl-3,4-dihydroquinoxalin-2(1H)-one
Systematic Name (OpenEye OEToolkits)	4-(phenylmethyl)-1,3-dihydroquinoxalin-2-one
Formula	C₁₅ H₁₄ N₂ O
Molecular Weight	238.284
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2Nc1c(cccc1)N(C2)Cc3ccccc3
SMILES	CACTVS	3.385	O=C1CN(Cc2ccccc2)c3ccccc3N1
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)CN2CC(=O)Nc3c2cccc3
Canonical SMILES	CACTVS	3.385	O=C1CN(Cc2ccccc2)c3ccccc3N1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)CN2CC(=O)Nc3c2cccc3
InChI	InChI	1.03	InChI=1S/C15H14N2O/c18-15-11-17(10-12-6-2-1-3-7-12)14-9-5-4-8-13(14)16-15/h1-9H,10-11H2,(H,16,18)
InChIKey	InChI	1.03	BSCQZYGHGGBKLI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	759495
ChEMBL	CHEMBL2094355

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