(αS,3-exo)-3-[3-Methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-α-phenyl-8-azabicyclo[3.2.1]octane-8-propanamine

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H33N5
Molecular Weight	367.5309
Optical Activity	( + )
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (αS,3-exo)-3-[3-Methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-α-phenyl-8-azabicyclo[3.2.1]octane-8-propanamine

Structure Search

SMILES

CC(C)C1=NN=C(C)N1[C@H]2C[C@@H]3CC[C@H](C2)N3CC[C@H](N)C4=CC=CC=C4

InChI

InChIKey=QOFZYOSOELDKMC-WOZUAGRISA-N

InChI=1S/C22H33N5/c1-15(2)22-25-24-16(3)27(22)20-13-18-9-10-19(14-20)26(18)12-11-21(23)17-7-5-4-6-8-17/h4-8,15,18-21H,9-14,23H2,1-3H3/t18-,19+,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H33N5
Molecular Weight	367.5309
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 19:22:19 GMT 2023` Edited by `admin` on `Sat Dec 16 19:22:19 GMT 2023`
Record UNII	ZV5F9C5LE3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(αS,3-exo)-3-[3-Methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-α-phenyl-8-azabicyclo[3.2.1]octane-8-propanamine

Systematic Name

English

8-Azabicyclo[3.2.1]octane-8-propanamine, 3-[3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-α-phenyl-, (αS,3-exo)-

Systematic Name

English

(S)-3-((1R,3R,5S)-3-(3-ISOPROPYL-5-METHYL-4H-1,2,4-TRIAZOL-4-YL)-8-AZABICYCLO(3.2.1)OCTAN-8-YL)-1-PHENYLPROPAN-1-AMINE

Common Name

English

Code System Code Type Description

FDA UNII

ZV5F9C5LE3

Created by admin on Sat Dec 16 19:22:19 GMT 2023 , Edited by admin on Sat Dec 16 19:22:19 GMT 2023

PRIMARY

CAS

376348-71-9

Created by admin on Sat Dec 16 19:22:19 GMT 2023 , Edited by admin on Sat Dec 16 19:22:19 GMT 2023

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