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4I5

Summary
Name:(6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide
Formula:C14 H15 Cl N2 O
Formal charge:0
Formula weight:262.735 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide
OpenEye OEToolkits1.7.6(6S)-2-chloranyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc2cc1c3c(nc1cc2)C(C(=O)N)CCCC3
InChIInChI1.03InChI=1S/C14H15ClN2O/c15-8-5-6-12-11(7-8)9-3-1-2-4-10(14(16)18)13(9)17-12/h5-7,10,17H,1-4H2,(H2,16,18)/t10-/m0/s1
InChIKeyInChI1.03ABIVOOWWGYJNLV-JTQLQIEISA-N
SMILES_CANONICALCACTVS3.370NC(=O)[C@H]1CCCCc2c1[nH]c3ccc(Cl)cc23
SMILESCACTVS3.370NC(=O)[CH]1CCCCc2c1[nH]c3ccc(Cl)cc23
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCCC3)C(=O)N
SMILESOpenEye OEToolkits1.7.6c1cc2c(cc1Cl)c3c([nH]2)C(CCCC3)C(=O)N

223532

PDB entries from 2024-08-07

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