4PG
Summary
Name: | 1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine |
Formula: | C15 H15 N3 O |
Formal charge: | 0 |
Formula weight: | 253.299 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine |
OpenEye OEToolkits | 1.5.0 | 1-(4-phenacylphenyl)guanidine |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c1ccccc1)Cc2ccc(NC(=[N@H])N)cc2 |
SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)Nc1ccc(CC(=O)c2ccccc2)cc1 |
SMILES | CACTVS | 3.341 | NC(=N)Nc1ccc(CC(=O)c2ccccc2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(/N)\Nc1ccc(cc1)CC(=O)c2ccccc2 |
SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(N)Nc1ccc(cc1)CC(=O)c2ccccc2 |
InChI | InChI | 1.03 | InChI=1S/C15H15N3O/c16-15(17)18-13-8-6-11(7-9-13)10-14(19)12-4-2-1-3-5-12/h1-9H,10H2,(H4,16,17,18) |
InChIKey | InChI | 1.03 | MERNPSIIBFTCAI-UHFFFAOYSA-N |