N-[(1S)-3-[(3-exo)-3-[3,5-Bis(1-methylethyl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexanecarboxamide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H45F2N5O
Molecular Weight	541.7187
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-[(1S)-3-[(3-exo)-3-[3,5-Bis(1-methylethyl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexanecarboxamide

Structure Search

SMILES

CC(C)C1=NN=C(C(C)C)N1[C@H]2C[C@@H]3CC[C@H](C2)N3CC[C@H](NC(=O)C4CCC(F)(F)CC4)C5=CC=CC=C5

InChI

InChIKey=ABHJYQXHLQRRMM-XUJYPJAKSA-N

InChI=1S/C31H45F2N5O/c1-20(2)28-35-36-29(21(3)4)38(28)26-18-24-10-11-25(19-26)37(24)17-14-27(22-8-6-5-7-9-22)34-30(39)23-12-15-31(32,33)16-13-23/h5-9,20-21,23-27H,10-19H2,1-4H3,(H,34,39)/t24-,25+,26-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H45F2N5O
Molecular Weight	541.7187
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 15:13:01 GMT 2025` Edited by `admin` on `Wed Apr 02 15:13:01 GMT 2025`
Record UNII	EB25LBV6F8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Cyclohexanecarboxamide, N-[(1S)-3-[(3-exo)-3-[3,5-bis(1-methylethyl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl]-4,4-difluoro-

Preferred Name

English

N-[(1S)-3-[(3-exo)-3-[3,5-Bis(1-methylethyl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl]-4,4-difluorocyclohexanecarboxamide

Systematic Name

English

Code System Code Type Description

FDA UNII

EB25LBV6F8

Created by admin on Wed Apr 02 15:13:01 GMT 2025 , Edited by admin on Wed Apr 02 15:13:01 GMT 2025

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CAS

2414312-17-5

Created by admin on Wed Apr 02 15:13:01 GMT 2025 , Edited by admin on Wed Apr 02 15:13:01 GMT 2025

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