Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

N4X

Summary
Name:3,3-dimethyl-4-(phenylmethyl)-2~{H}-quinoxaline-1-carboxamide
Formula:C18 H21 N3 O
Formal charge:0
Formula weight:295.379 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73,3-dimethyl-4-(phenylmethyl)-2~{H}-quinoxaline-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C18H21N3O/c1-18(2)13-20(17(19)22)15-10-6-7-11-16(15)21(18)12-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H2,19,22)
InChIKeyInChI1.06FMYXSWJEOXUWRT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC1(C)CN(C(N)=O)c2ccccc2N1Cc3ccccc3
SMILESCACTVS3.385CC1(C)CN(C(N)=O)c2ccccc2N1Cc3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.7CC1(CN(c2ccccc2N1Cc3ccccc3)C(=O)N)C
SMILESOpenEye OEToolkits2.0.7CC1(CN(c2ccccc2N1Cc3ccccc3)C(=O)N)C

222415

PDB entries from 2024-07-10

PDB statisticsPDBj update infoContact PDBjnumon