OCZ

(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide

Created:	2013-06-24
Last modified:	2014-09-05

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6 entries where OCZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	1
Bond Count	32
Aromatic Bond Count	10

2D diagram of OCZ

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Chemical Component Summary
Name	(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide
Systematic Name (OpenEye OEToolkits)	(1S)-6-chloranyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
Formula	C₁₃ H₁₃ Cl N₂ O
Molecular Weight	248.708
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1cc2c(cc1)nc3c2CCCC3C(=O)N
SMILES	CACTVS	3.385	NC(=O)[CH]1CCCc2c1[nH]c3ccc(Cl)cc23
SMILES	OpenEye OEToolkits	1.9.2	c1cc2c(cc1Cl)c3c([nH]2)C(CCC3)C(=O)N
Canonical SMILES	CACTVS	3.385	NC(=O)[C@H]1CCCc2c1[nH]c3ccc(Cl)cc23
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCC3)C(=O)N
InChI	InChI	1.03	InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)/t9-/m0/s1
InChIKey	InChI	1.03	FUZYTVDVLBBXDL-VIFPVBQESA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL597477
PubChem	707029
ChEMBL	CHEMBL597477
ChEBI	CHEBI:90371

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.