A1ITP

(1~{R})-~{N}-(3-chlorophenyl)-3-oxidanylidene-~{N}-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,2-dihydroindene-1-carboxamide

Created: 2024-11-08
Last modified:  2024-11-27

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Chemical Details

Formal Charge0
Atom Count53
Chiral Atom Count1
Bond Count57
Aromatic Bond Count18
2D diagram of A1ITP
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Chemical Component Summary

Name(1~{R})-~{N}-(3-chlorophenyl)-3-oxidanylidene-~{N}-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,2-dihydroindene-1-carboxamide
Synonyms(1R)-N-(3-chlorophenyl)-3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]indane-1-carboxamide
Systematic Name (OpenEye OEToolkits)(1~{R})-~{N}-(3-chlorophenyl)-3-oxidanylidene-~{N}-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,2-dihydroindene-1-carboxamide
FormulaC26 H21 Cl N2 O3
Molecular Weight444.91
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385Clc1cccc(c1)N(C(=O)[CH]2CC(=O)c3ccccc23)c4ccc(cc4)N5CCCC5=O
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)C(CC2=O)C(=O)N(c3ccc(cc3)N4CCCC4=O)c5cccc(c5)Cl
Canonical SMILESCACTVS3.385 Clc1cccc(c1)N(C(=O)[C@@H]2CC(=O)c3ccccc23)c4ccc(cc4)N5CCCC5=O
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc2c(c1)[C@@H](CC2=O)C(=O)N(c3ccc(cc3)N4CCCC4=O)c5cccc(c5)Cl
InChIInChI1.06 InChI=1S/C26H21ClN2O3/c27-17-5-3-6-20(15-17)29(19-12-10-18(11-13-19)28-14-4-9-25(28)31)26(32)23-16-24(30)22-8-2-1-7-21(22)23/h1-3,5-8,10-13,15,23H,4,9,14,16H2/t23-/m1/s1
InChIKeyInChI1.06 QHXYLNDXNZHBPZ-HSZRJFAPSA-N

Related Resource References

Resource NameReference
PubChem 172429212