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SummaryGeometryRelated PDB entries

F1B

Summary
Name:(3~{Z})-5-ethanoyl-3-[[(1-methylpiperidin-4-yl)amino]-phenyl-methylidene]-1~{H}-indol-2-one
Formula:C23 H25 N3 O2
Formal charge:0
Formula weight:375.464 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6(3~{Z})-5-ethanoyl-3-[[(1-methylpiperidin-4-yl)amino]-phenyl-methylidene]-1~{H}-indol-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C23H25N3O2/c1-15(27)17-8-9-20-19(14-17)21(23(28)25-20)22(16-6-4-3-5-7-16)24-18-10-12-26(2)13-11-18/h3-9,14,18,24H,10-13H2,1-2H3,(H,25,28)/b22-21-
InChIKeyInChI1.03WPYXXIHXRUGCDD-DQRAZIAOSA-N
SMILES_CANONICALCACTVS3.385CN1CCC(CC1)NC(/c2ccccc2)=C3\C(=O)Nc4ccc(cc34)C(C)=O
SMILESCACTVS3.385CN1CCC(CC1)NC(c2ccccc2)=C3C(=O)Nc4ccc(cc34)C(C)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(=O)c1ccc2c(c1)/C(=C(\c3ccccc3)/NC4CCN(CC4)C)/C(=O)N2
SMILESOpenEye OEToolkits2.0.6CC(=O)c1ccc2c(c1)C(=C(c3ccccc3)NC4CCN(CC4)C)C(=O)N2

218853

PDB entries from 2024-04-24

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