0O5

4-(3-methylisoquinolin-1-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide

Created:	2012-03-29
Last modified:	2012-03-29

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1 entries where 0O5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	0
Bond Count	56
Aromatic Bond Count	17

2D diagram of 0O5

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Chemical Component Summary
Name	4-(3-methylisoquinolin-1-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide
Systematic Name (OpenEye OEToolkits)	4-(3-methylisoquinolin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide
Formula	C₂₃ H₂₅ N₃ O₂
Molecular Weight	375.464
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NCCN1CCOCC1)c4ccc(c3nc(cc2c3cccc2)C)cc4
SMILES	CACTVS	3.370	Cc1cc2ccccc2c(n1)c3ccc(cc3)C(=O)NCCN4CCOCC4
SMILES	OpenEye OEToolkits	1.7.6	Cc1cc2ccccc2c(n1)c3ccc(cc3)C(=O)NCCN4CCOCC4
Canonical SMILES	CACTVS	3.370	Cc1cc2ccccc2c(n1)c3ccc(cc3)C(=O)NCCN4CCOCC4
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1cc2ccccc2c(n1)c3ccc(cc3)C(=O)NCCN4CCOCC4
InChI	InChI	1.03	InChI=1S/C23H25N3O2/c1-17-16-20-4-2-3-5-21(20)22(25-17)18-6-8-19(9-7-18)23(27)24-10-11-26-12-14-28-15-13-26/h2-9,16H,10-15H2,1H3,(H,24,27)
InChIKey	InChI	1.03	TUUADNJAZQZKLA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL2035653
PubChem	56962332
ChEMBL	CHEMBL2035653

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.