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Details

Stereochemistry UNKNOWN
Molecular Formula C20H28N2O
Molecular Weight 312.4491
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(4-(CYANOMETHYL)PHENYL)-2-ISOPROPYL-5,5-DIMETHYLCYCLOHEXANECARBOXAMIDE

SMILES

CC(C)[C@H]1CCC(C)(C)C[C@@H]1C(=O)NC2=CC=C(CC#N)C=C2

InChI

InChIKey=YEMXMTNNIQKZHP-MSOLQXFVSA-N
InChI=1S/C20H28N2O/c1-14(2)17-9-11-20(3,4)13-18(17)19(23)22-16-7-5-15(6-8-16)10-12-21/h5-8,14,17-18H,9-11,13H2,1-4H3,(H,22,23)/t17-,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H28N2O
Molecular Weight 312.4491
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:32:43 GMT 2023
Edited
by admin
on Sat Dec 16 14:32:43 GMT 2023
Record UNII
J5657VM5YQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(4-(CYANOMETHYL)PHENYL)-2-ISOPROPYL-5,5-DIMETHYLCYCLOHEXANECARBOXAMIDE
Systematic Name English
CYCLOHEXANECARBOXAMIDE, N-(4-(CYANOMETHYL)PHENYL)-5,5-DIMETHYL-2-(1-METHYLETHYL)-, (1R,2S)-
Systematic Name English
FEMA NO. 4882
Code English
Code System Code Type Description
PUBCHEM
122582321
Created by admin on Sat Dec 16 14:32:43 GMT 2023 , Edited by admin on Sat Dec 16 14:32:43 GMT 2023
PRIMARY
CAS
2013592-53-3
Created by admin on Sat Dec 16 14:32:43 GMT 2023 , Edited by admin on Sat Dec 16 14:32:43 GMT 2023
ALTERNATIVE
CAS
1857331-83-9
Created by admin on Sat Dec 16 14:32:43 GMT 2023 , Edited by admin on Sat Dec 16 14:32:43 GMT 2023
PRIMARY
FDA UNII
J5657VM5YQ
Created by admin on Sat Dec 16 14:32:43 GMT 2023 , Edited by admin on Sat Dec 16 14:32:43 GMT 2023
PRIMARY