74E

2-[(4-oxidanylcyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl)benzamide

Created:2016-08-23
Last modified:  2017-08-23

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Chemical Details

Formal Charge0
Atom Count61
Chiral Atom Count0
Bond Count64
Aromatic Bond Count11
2D diagram of 74E

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Chemical Component Summary

Name2-[(4-oxidanylcyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl)benzamide
Systematic Name (OpenEye OEToolkits)2-[(4-oxidanylcyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl)benzamide
FormulaC24 H31 N3 O3
Molecular Weight409.521
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Cc1cn(c2ccc(C(N)=O)c(N[CH]3CC[CH](O)CC3)c2)c4CC(C)(C)CC(=O)c14
SMILESOpenEye OEToolkits2.0.5Cc1cn(c2c1C(=O)CC(C2)(C)C)c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N
Canonical SMILESCACTVS3.385 Cc1cn(c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)c4CC(C)(C)CC(=O)c14
Canonical SMILESOpenEye OEToolkits2.0.5 Cc1cn(c2c1C(=O)CC(C2)(C)C)c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N
InChIInChI1.03 InChI=1S/C24H31N3O3/c1-14-13-27(20-11-24(2,3)12-21(29)22(14)20)16-6-9-18(23(25)30)19(10-16)26-15-4-7-17(28)8-5-15/h6,9-10,13,15,17,26,28H,4-5,7-8,11-12H2,1-3H3,(H2,25,30)/t15-,17-
InChIKeyInChI1.03 SIEDNUHWSIZMAF-JCNLHEQBSA-N