A1LZ7

~{N}-[1-(1,2-dihydroacenaphthylen-5-yl)cyclopropyl]-5-[(3~{S})-4-ethyl-3-methyl-piperazin-1-yl]-2-methyl-benzamide

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

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Chemical Details

Formal Charge0
Atom Count69
Chiral Atom Count1
Bond Count74
Aromatic Bond Count17
2D diagram of A1LZ7

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Chemical Component Summary

Name~{N}-[1-(1,2-dihydroacenaphthylen-5-yl)cyclopropyl]-5-[(3~{S})-4-ethyl-3-methyl-piperazin-1-yl]-2-methyl-benzamide
Systematic Name (OpenEye OEToolkits)~{N}-[1-(1,2-dihydroacenaphthylen-5-yl)cyclopropyl]-5-[(3~{S})-4-ethyl-3-methyl-piperazin-1-yl]-2-methyl-benzamide
FormulaC30 H35 N3 O
Molecular Weight453.618
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CCN1CCN(C[CH]1C)c2ccc(C)c(c2)C(=O)NC3(CC3)c4ccc5CCc6cccc4c56
SMILESOpenEye OEToolkits2.0.7CCN1CCN(CC1C)c2ccc(c(c2)C(=O)NC3(CC3)c4ccc5c6c4cccc6CC5)C
Canonical SMILESCACTVS3.385 CCN1CCN(C[C@@H]1C)c2ccc(C)c(c2)C(=O)NC3(CC3)c4ccc5CCc6cccc4c56
Canonical SMILESOpenEye OEToolkits2.0.7 CCN1CCN(C[C@@H]1C)c2ccc(c(c2)C(=O)NC3(CC3)c4ccc5c6c4cccc6CC5)C
InChIInChI1.06 InChI=1S/C30H35N3O/c1-4-32-16-17-33(19-21(32)3)24-12-8-20(2)26(18-24)29(34)31-30(14-15-30)27-13-11-23-10-9-22-6-5-7-25(27)28(22)23/h5-8,11-13,18,21H,4,9-10,14-17,19H2,1-3H3,(H,31,34)/t21-/m0/s1
InChIKeyInChI1.06 CVNXPJQPKSLBEK-NRFANRHFSA-N

Related Resource References

Resource NameReference
PubChem 172432026