L7Y
5-(4-chlorophenyl)-3-({[3-(morpholine-4-carbonyl)phenyl]amino}methyl)pyridin-2(1H)-one
Created: | 2019-02-11 |
Last modified: | 2020-01-01 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 52 |
Chiral Atom Count | 0 |
Bond Count | 55 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | 5-(4-chlorophenyl)-3-({[3-(morpholine-4-carbonyl)phenyl]amino}methyl)pyridin-2(1H)-one |
Systematic Name (OpenEye OEToolkits) | 5-(4-chlorophenyl)-3-[[(3-morpholin-4-ylcarbonylphenyl)amino]methyl]-1~{H}-pyridin-2-one |
Formula | C23 H22 Cl N3 O3 |
Molecular Weight | 423.892 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccc(cc1)C2=CNC(=O)C(=C2)CNc3cccc(c3)C(N4CCOCC4)=O |
SMILES | CACTVS | 3.385 | Clc1ccc(cc1)C2=CNC(=O)C(=C2)CNc3cccc(c3)C(=O)N4CCOCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)NCC2=CC(=CNC2=O)c3ccc(cc3)Cl)C(=O)N4CCOCC4 |
Canonical SMILES | CACTVS | 3.385 | Clc1ccc(cc1)C2=CNC(=O)C(=C2)CNc3cccc(c3)C(=O)N4CCOCC4 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)NCC2=CC(=CNC2=O)c3ccc(cc3)Cl)C(=O)N4CCOCC4 |
InChI | InChI | 1.03 | InChI=1S/C23H22ClN3O3/c24-20-6-4-16(5-7-20)18-12-19(22(28)26-14-18)15-25-21-3-1-2-17(13-21)23(29)27-8-10-30-11-9-27/h1-7,12-14,25H,8-11,15H2,(H,26,28) |
InChIKey | InChI | 1.03 | FGOXIGQZSJLIHW-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 92437983 |