0O4

4-(isoquinolin-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 0O4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	0
Bond Count	53
Aromatic Bond Count	17

2D diagram of 0O4

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Chemical Component Summary
Name	4-(isoquinolin-1-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide
Systematic Name (OpenEye OEToolkits)	4-isoquinolin-1-yl-N-(2-morpholin-4-ylethyl)benzamide
Formula	C₂₂ H₂₃ N₃ O₂
Molecular Weight	361.437
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NCCN1CCOCC1)c4ccc(c3nccc2c3cccc2)cc4
SMILES	CACTVS	3.370	O=C(NCCN1CCOCC1)c2ccc(cc2)c3nccc4ccccc34
SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)ccnc2c3ccc(cc3)C(=O)NCCN4CCOCC4
Canonical SMILES	CACTVS	3.370	O=C(NCCN1CCOCC1)c2ccc(cc2)c3nccc4ccccc34
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)ccnc2c3ccc(cc3)C(=O)NCCN4CCOCC4
InChI	InChI	1.03	InChI=1S/C22H23N3O2/c26-22(24-11-12-25-13-15-27-16-14-25)19-7-5-18(6-8-19)21-20-4-2-1-3-17(20)9-10-23-21/h1-10H,11-16H2,(H,24,26)
InChIKey	InChI	1.03	JZHDIGBWZULPFR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL2035651
PubChem	57383478
ChEMBL	CHEMBL2035651

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