ZI3

N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide

Created:	2023-06-23
Last modified:	2024-09-27

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1 entries where ZI3 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	0
Bond Count	54
Aromatic Bond Count	12

2D diagram of ZI3

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Chemical Component Summary
Name	N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-3,4-dihydro-2~{H}-quinoline-5-carboxamide
Formula	C₂₂ H₂₃ Cl N₂ O₃
Molecular Weight	398.883
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NC1(COC1)c1ccc(Cl)cc1)c1cccc2N(CCCc21)C(=O)CC
SMILES	CACTVS	3.385	CCC(=O)N1CCCc2c1cccc2C(=O)NC3(COC3)c4ccc(Cl)cc4
SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)N1CCCc2c1cccc2C(=O)NC3(COC3)c4ccc(cc4)Cl
Canonical SMILES	CACTVS	3.385	CCC(=O)N1CCCc2c1cccc2C(=O)NC3(COC3)c4ccc(Cl)cc4
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)N1CCCc2c1cccc2C(=O)NC3(COC3)c4ccc(cc4)Cl
InChI	InChI	1.06	InChI=1S/C22H23ClN2O3/c1-2-20(26)25-12-4-6-17-18(5-3-7-19(17)25)21(27)24-22(13-28-14-22)15-8-10-16(23)11-9-15/h3,5,7-11H,2,4,6,12-14H2,1H3,(H,24,27)
InChIKey	InChI	1.06	KBBNTEQRMWVNFG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	168451764

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