A1LZ8

5-[(1~{R},5~{S})-3,6-diazabicyclo[3.1.1]heptan-3-yl]-2-methyl-~{N}-[1-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)cyclopropyl]benzamide

Created:2024-04-03
Last modified:  2024-12-04

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Chemical Details

Formal Charge0
Atom Count62
Chiral Atom Count2
Bond Count68
Aromatic Bond Count17
2D diagram of A1LZ8
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Chemical Component Summary

Name5-[(1~{R},5~{S})-3,6-diazabicyclo[3.1.1]heptan-3-yl]-2-methyl-~{N}-[1-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)cyclopropyl]benzamide
Systematic Name (OpenEye OEToolkits)5-[(1~{R},5~{S})-3,6-diazabicyclo[3.1.1]heptan-3-yl]-2-methyl-~{N}-[1-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)cyclopropyl]benzamide
FormulaC28 H28 N4 O2
Molecular Weight452.548
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CN1C(=O)c2cccc3c(ccc1c23)C4(CC4)NC(=O)c5cc(ccc5C)N6C[CH]7C[CH](C6)N7
SMILESOpenEye OEToolkits2.0.7Cc1ccc(cc1C(=O)NC2(CC2)c3ccc4c5c3cccc5C(=O)N4C)N6CC7CC(C6)N7
Canonical SMILESCACTVS3.385 CN1C(=O)c2cccc3c(ccc1c23)C4(CC4)NC(=O)c5cc(ccc5C)N6C[C@H]7C[C@@H](C6)N7
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1ccc(cc1C(=O)NC2(CC2)c3ccc4c5c3cccc5C(=O)N4C)N6C[C@H]7C[C@@H](C6)N7
InChIInChI1.06 InChI=1S/C28H28N4O2/c1-16-6-7-19(32-14-17-12-18(15-32)29-17)13-22(16)26(33)30-28(10-11-28)23-8-9-24-25-20(23)4-3-5-21(25)27(34)31(24)2/h3-9,13,17-18,29H,10-12,14-15H2,1-2H3,(H,30,33)/t17-,18+
InChIKeyInChI1.06 NSNJCLUPOYTRHK-HDICACEKSA-N