4PG

?

Summary

Name:1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine
Formula:C15 H15 N3 O
Formal charge:0
Molecular weight:253.299 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-[4-(2-oxo-2-phenylethyl)phenyl]guanidine
OpenEye OEToolkits1.5.01-(4-phenacylphenyl)guanidine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(c1ccccc1)Cc2ccc(NC(=[N@H])N)cc2
SMILES_CANONICALCACTVS3.341NC(=N)Nc1ccc(CC(=O)c2ccccc2)cc1
SMILESCACTVS3.341NC(=N)Nc1ccc(CC(=O)c2ccccc2)cc1
SMILES_CANONICALOpenEye OEToolkits1.5.0[H]/N=C(/N)\Nc1ccc(cc1)CC(=O)c2ccccc2
SMILESOpenEye OEToolkits1.5.0[H]N=C(N)Nc1ccc(cc1)CC(=O)c2ccccc2
InChIInChI1.03InChI=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)
InChIKeyInChI1.03MERNPSIIBFTCAI-UHFFFAOYSA-N
171588
PDB entries from 2020-11-25