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A1CY8

Summary
Name:Necrocide 1
Synonyms:(3S)-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1,3-dihydro-2H-indol-2-one
Formula:C23 H27 N O3
Formal charge:0
Formula weight:365.465 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1,3-dihydro-2H-indol-2-one
OpenEye OEToolkits3.1.0.0(3~{S})-3-cycloheptyl-3-(4-hydroxyphenyl)-6-methoxy-7-methyl-1~{H}-indol-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Oc1ccc(cc1)C1(c2ccc(OC)c(C)c2NC1=O)C1CCCCCC1
InChIInChI1.06InChI=1S/C23H27NO3/c1-15-20(27-2)14-13-19-21(15)24-22(26)23(19,16-7-5-3-4-6-8-16)17-9-11-18(25)12-10-17/h9-14,16,25H,3-8H2,1-2H3,(H,24,26)/t23-/m0/s1
InChIKeyInChI1.06JLWDEIVDLTXBGE-QHCPKHFHSA-N
SMILES_CANONICALCACTVS3.385COc1ccc2c(NC(=O)[C@@]2(C3CCCCCC3)c4ccc(O)cc4)c1C
SMILESCACTVS3.385COc1ccc2c(NC(=O)[C]2(C3CCCCCC3)c4ccc(O)cc4)c1C
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cc1c(ccc2c1NC(=O)[C@]2(c3ccc(cc3)O)C4CCCCCC4)OC
SMILESOpenEye OEToolkits3.1.0.0Cc1c(ccc2c1NC(=O)C2(c3ccc(cc3)O)C4CCCCCC4)OC

254917

PDB entries from 2026-06-10

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