Methyl 4-[[1-[[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]amino]carbonyl]cyclobutyl]amino]-2-fluorobenzoate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H16F4N4O3
Molecular Weight	436.3597
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Methyl 4-[[1-[[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]amino]carbonyl]cyclobutyl]amino]-2-fluorobenzoate

Structure Search

SMILES

COC(=O)C1=C(F)C=C(NC2(CCC2)C(=O)NC3=CN=C(C#N)C(=C3)C(F)(F)F)C=C1

InChI

InChIKey=SADUGMHGKGSOJC-UHFFFAOYSA-N

InChI=1S/C20H16F4N4O3/c1-31-17(29)13-4-3-11(8-15(13)21)28-19(5-2-6-19)18(30)27-12-7-14(20(22,23)24)16(9-25)26-10-12/h3-4,7-8,10,28H,2,5-6H2,1H3,(H,27,30)

HIDE SMILES / InChI

Molecular Formula	C20H16F4N4O3
Molecular Weight	436.3597
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:09:49 GMT 2025` Edited by `admin` on `Wed Apr 02 21:09:49 GMT 2025`
Record UNII	XQG2Z7NP2P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Benzoic acid, 4-[[1-[[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]amino]carbonyl]cyclobutyl]amino]-2-fluoro-, methyl ester

Preferred Name

English

Methyl 4-[[1-[[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]amino]carbonyl]cyclobutyl]amino]-2-fluorobenzoate

Systematic Name

English

Code System Code Type Description

FDA UNII

XQG2Z7NP2P

Created by admin on Wed Apr 02 21:09:49 GMT 2025 , Edited by admin on Wed Apr 02 21:09:49 GMT 2025

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PUBCHEM

121422677

Created by admin on Wed Apr 02 21:09:49 GMT 2025 , Edited by admin on Wed Apr 02 21:09:49 GMT 2025

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CAS

1950587-18-4

Created by admin on Wed Apr 02 21:09:49 GMT 2025 , Edited by admin on Wed Apr 02 21:09:49 GMT 2025

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