RMZ

(3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one

Created:	2020-10-09
Last modified:	2020-12-02

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1 entries where RMZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	1
Bond Count	56
Aromatic Bond Count	12

2D diagram of RMZ

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Chemical Component Summary
Name	(3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
Synonyms	3-(2-(4-(3,4-Dimethylphenyl)piperazin-1-yl)ethyl)isoindolin-1-one
Systematic Name (OpenEye OEToolkits)	(3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
Formula	C₂₂ H₂₇ N₃ O
Molecular Weight	349.469
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1ccc(cc1C)N2CCN(CC[CH]3NC(=O)c4ccccc34)CC2
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1C)N2CCN(CC2)CCC3c4ccccc4C(=O)N3
Canonical SMILES	CACTVS	3.385	Cc1ccc(cc1C)N2CCN(CC[C@@H]3NC(=O)c4ccccc34)CC2
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1C)N2CCN(CC2)CC[C@H]3c4ccccc4C(=O)N3
InChI	InChI	1.03	InChI=1S/C22H27N3O/c1-16-7-8-18(15-17(16)2)25-13-11-24(12-14-25)10-9-21-19-5-3-4-6-20(19)22(26)23-21/h3-8,15,21H,9-14H2,1-2H3,(H,23,26)/t21-/m0/s1
InChIKey	InChI	1.03	WQEPZBNLBWDIRZ-NRFANRHFSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL37170
PubChem	9798466
ChEMBL	CHEMBL37170

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