ABT-100

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H19F3N4O3
Molecular Weight	504.46
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1C=NC=C1[C@](O)(COC2=C(C=C(C=C2)C#N)C3=CC=C(OC(F)(F)F)C=C3)C4=CC=C(C=C4)C#N

InChI

InChIKey=HEUVRFNVTLGKMZ-SANMLTNESA-N

InChI=1S/C27H19F3N4O3/c1-34-17-33-15-25(34)26(35,21-7-2-18(13-31)3-8-21)16-36-24-11-4-19(14-32)12-23(24)20-5-9-22(10-6-20)37-27(28,29)30/h2-12,15,17,35H,16H2,1H3/t26-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H19F3N4O3
Molecular Weight	504.46
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 10:38:20 GMT 2023` Edited by `admin` on `Sat Dec 16 10:38:20 GMT 2023`
Record UNII	QG74WR2HRE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ABT-100

Code

English

6-((2S)-2-(4-CYANOPHENYL)-2-HYDROXY-2-(1-METHYL-1H-IMIDAZOL-5-YL)ETHOXY)-4'-(TRIFLUOROMETHOXY)(1,1'-BIPHENYL)-3-CARBONITRILE

Common Name

English

ABT100

Common Name

English

(1,1'-BIPHENYL)-3-CARBONITRILE, 6-((2S)-2-(4-CYANOPHENYL)-2-HYDROXY-2-(1-METHYL-1H-IMIDAZOL-5-YL)ETHOXY)-4'-(TRIFLUOROMETHOXY)-

Systematic Name

English

6-((2S)-2-(4-CYANOPHENYL)-2-HYDROXY-2-(1-METHYL-1H-IMIDAZOL-5-YL)ETHOXY)-4'-(TRIFLUOROMETHOXY)-1,1'-BIPHENYL-3-CARBONITRILE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID60196377