LRR
Summary
Name: | 1-(morpholin-4-yl)-4-phenylbutan-1-one |
Formula: | C14 H19 N O2 |
Formal charge: | 0 |
Formula weight: | 233.306 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 1-(morpholin-4-yl)-4-phenylbutan-1-one |
OpenEye OEToolkits | 2.0.7 | 1-morpholin-4-yl-4-phenyl-butan-1-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(CCCc1ccccc1)N1CCOCC1 |
InChI | InChI | 1.03 | InChI=1S/C14H19NO2/c16-14(15-9-11-17-12-10-15)8-4-7-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2 |
InChIKey | InChI | 1.03 | VCWRKWJSYZSPEJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(CCCc1ccccc1)N2CCOCC2 |
SMILES | CACTVS | 3.385 | O=C(CCCc1ccccc1)N2CCOCC2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCCC(=O)N2CCOCC2 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCCC(=O)N2CCOCC2 |