SOK

3-(5-azanyl-2-chloranyl-phenyl)-1-methyl-4,7-dihydro-2~{H}-cyclohepta[c]pyrrol-8-one

Created:	2020-11-25
Last modified:	2022-06-08

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1 entries where SOK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	11

2D diagram of SOK

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Chemical Component Summary
Name	3-(5-azanyl-2-chloranyl-phenyl)-1-methyl-4,7-dihydro-2~{H}-cyclohepta[c]pyrrol-8-one
Systematic Name (OpenEye OEToolkits)	3-(5-azanyl-2-chloranyl-phenyl)-1-methyl-4,7-dihydro-2~{H}-cyclohepta[c]pyrrol-8-one
Formula	C₁₆ H₁₅ Cl N₂ O
Molecular Weight	286.756
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1[nH]c(c2CC=CCC(=O)c12)c3cc(N)ccc3Cl
SMILES	OpenEye OEToolkits	2.0.7	Cc1c2c(c([nH]1)c3cc(ccc3Cl)N)CC=CCC2=O
Canonical SMILES	CACTVS	3.385	Cc1[nH]c(c2CC=CCC(=O)c12)c3cc(N)ccc3Cl
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c2c(c([nH]1)c3cc(ccc3Cl)N)CC=CCC2=O
InChI	InChI	1.03	InChI=1S/C16H15ClN2O/c1-9-15-11(4-2-3-5-14(15)20)16(19-9)12-8-10(18)6-7-13(12)17/h2-3,6-8,19H,4-5,18H2,1H3
InChIKey	InChI	1.03	NHRQHOMIYFOZIR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	163359811

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