9X5

5-methyl-7~{H}-benzo[d][2]benzazepine

Created:	2017-07-21
Last modified:	2018-05-30

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1 entries where 9X5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	12

2D diagram of 9X5

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Chemical Component Summary
Name	5-methyl-7~{H}-benzo[d][2]benzazepine
Systematic Name (OpenEye OEToolkits)	5-methyl-7~{H}-benzo[d][2]benzazepine
Formula	C₁₅ H₁₃ N
Molecular Weight	207.27
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC1=NCc2ccccc2c3ccccc13
SMILES	OpenEye OEToolkits	2.0.6	CC1=NCc2ccccc2-c3c1cccc3
Canonical SMILES	CACTVS	3.385	CC1=NCc2ccccc2c3ccccc13
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC1=NCc2ccccc2-c3c1cccc3
InChI	InChI	1.03	InChI=1S/C15H13N/c1-11-13-7-4-5-9-15(13)14-8-3-2-6-12(14)10-16-11/h2-9H,10H2,1H3
InChIKey	InChI	1.03	SXTIUHLTWSXWRK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	134129091

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.