2O1

?

Summary

Name:2,3-dihydrobenzo[h][1,6]naphthyridin-4(1H)-one
Formula:C12 H10 N2 O
Formal charge:0
Molecular weight:198.221 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012,3-dihydrobenzo[h][1,6]naphthyridin-4(1H)-one
OpenEye OEToolkits1.7.62,3-dihydro-1H-benzo[h][1,6]naphthyridin-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C3c2cnc1ccccc1c2NCC3
InChIInChI1.03InChI=1S/C12H10N2O/c15-11-5-6-13-12-8-3-1-2-4-10(8)14-7-9(11)12/h1-4,7,13H,5-6H2
InChIKeyInChI1.03PTMYWDHBZAMKMN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C1CCNc2c1cnc3ccccc23
SMILESCACTVS3.385O=C1CCNc2c1cnc3ccccc23
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc2c(c1)c3c(cn2)C(=O)CCN3
SMILESOpenEye OEToolkits1.7.6c1ccc2c(c1)c3c(cn2)C(=O)CCN3
167132
PDB entries from 2020-07-29