Cyclohexanecarboxamide, 4-chloro-4-fluoro-N-[(1S)-3-[3-[3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl]-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H41ClFN5O
Molecular Weight	530.12
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Cyclohexanecarboxamide, 4-chloro-4-fluoro-N-[(1S)-3-[3-[3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl]-

Structure Search

SMILES

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

InChI

InChIKey=NMLZEJRCFABHBR-TWZQYVHVSA-N

InChI=1S/C29H41ClFN5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t22?,23-,24+,25+,26-,29?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H41ClFN5O
Molecular Weight	530.12
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 `Sat Dec 16 19:55:52 GMT 2023` Edited by `admin` on `Sat Dec 16 19:55:52 GMT 2023`
Record UNII	D2X2Z68GSZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Cyclohexanecarboxamide, 4-chloro-4-fluoro-N-[(1S)-3-[3-[3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl]-

Systematic Name

English

Code System Code Type Description

CAS

1391048-05-7

Created by admin on Sat Dec 16 19:55:52 GMT 2023 , Edited by admin on Sat Dec 16 19:55:52 GMT 2023

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FDA UNII

D2X2Z68GSZ

Created by admin on Sat Dec 16 19:55:52 GMT 2023 , Edited by admin on Sat Dec 16 19:55:52 GMT 2023

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