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C7H

Summary
Name:4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-piperidine
Synonyms:Cyproheptadine
Formula:C21 H21 N
Formal charge:0
Formula weight:287.398 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.9.24-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-piperidine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
InChIKeyInChI1.03JJCFRYNCJDLXIK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN1CCC(CC1)=C2c3ccccc3C=Cc4ccccc24
SMILESCACTVS3.385CN1CCC(CC1)=C2c3ccccc3C=Cc4ccccc24
SMILES_CANONICALOpenEye OEToolkits1.9.2CN1CCC(=C2c3ccccc3C=Cc4c2cccc4)CC1
SMILESOpenEye OEToolkits1.9.2CN1CCC(=C2c3ccccc3C=Cc4c2cccc4)CC1

218853

PDB entries from 2024-04-24

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