A1IT2

(1~{R})-~{N}-[2-(diphenylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,2-dihydroindene-1-carboxamide

Created:2024-11-13
Last modified:  2024-11-27

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Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count1
Bond Count52
Aromatic Bond Count18
2D diagram of A1IT2

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Chemical Component Summary

Name(1~{R})-~{N}-[2-(diphenylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,2-dihydroindene-1-carboxamide
Synonyms(1R)-3-oxo-N-[2-oxo-2-(N-phenylanilino)ethyl]indane-1-carboxamide
Systematic Name (OpenEye OEToolkits)(1~{R})-~{N}-[2-(diphenylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,2-dihydroindene-1-carboxamide
FormulaC24 H20 N2 O3
Molecular Weight384.427
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385O=C(CNC(=O)[CH]1CC(=O)c2ccccc12)N(c3ccccc3)c4ccccc4
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)N(c2ccccc2)C(=O)CNC(=O)C3CC(=O)c4c3cccc4
Canonical SMILESCACTVS3.385 O=C(CNC(=O)[C@@H]1CC(=O)c2ccccc12)N(c3ccccc3)c4ccccc4
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc(cc1)N(c2ccccc2)C(=O)CNC(=O)[C@@H]3CC(=O)c4c3cccc4
InChIInChI1.06 InChI=1S/C24H20N2O3/c27-22-15-21(19-13-7-8-14-20(19)22)24(29)25-16-23(28)26(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,21H,15-16H2,(H,25,29)/t21-/m1/s1
InChIKeyInChI1.06 OVTASNKGDKQWNA-OAQYLSRUSA-N

Related Resource References

Resource NameReference
PubChem 172429216