TROX-1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H16ClFN6O
Molecular Weight	434.853
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@]2(CC1=CN=CN=C1)C(=O)N(C3=NNC=N3)C4=C2C=C(C=C4)C5=CC(Cl)=C(F)C=C5

InChI

InChIKey=OABSWPUPIHULMQ-JOCHJYFZSA-N

InChI=1S/C22H16ClFN6O/c1-22(8-13-9-25-11-26-10-13)16-6-14(15-2-4-18(24)17(23)7-15)3-5-19(16)30(20(22)31)21-27-12-28-29-21/h2-7,9-12H,8H2,1H3,(H,27,28,29)/t22-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H16ClFN6O
Molecular Weight	434.853
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:59:46 GMT 2023` Edited by `admin` on `Sat Dec 16 16:59:46 GMT 2023`
Record UNII	GWS86V23Q8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TROX-1

Common Name

English

2H-INDOL-2-ONE, 5-(3-CHLORO-4-FLUOROPHENYL)-1,3-DIHYDRO-3-METHYL-3-(5-PYRIMIDINYLMETHYL)-1-(1H-1,2,4-TRIAZOL-5-YL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

GWS86V23Q8