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

30M

Summary
Name:N-[4-(1-oxo-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl)butyl]acetamide
Formula:C17 H21 N3 O2
Formal charge:0
Formula weight:299.368 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[4-(1-oxo-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl)butyl]acetamide
OpenEye OEToolkits1.7.6N-[4-(1-oxidanylidene-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)butyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C3c2c1c(cccc1)n(c2CCN3)CCCCNC(=O)C
InChIInChI1.03InChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyInChI1.03RYVLOOXFFIFQEN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)NCCCCn1c2CCNC(=O)c2c3ccccc13
SMILESCACTVS3.385CC(=O)NCCCCn1c2CCNC(=O)c2c3ccccc13
SMILES_CANONICALOpenEye OEToolkits1.7.6CC(=O)NCCCCn1c2ccccc2c3c1CCNC3=O
SMILESOpenEye OEToolkits1.7.6CC(=O)NCCCCn1c2ccccc2c3c1CCNC3=O

223532

PDB entries from 2024-08-07

PDB statisticsPDBj update infoContact PDBjnumon