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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H16BrN3O
Molecular Weight 382.254
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of MOL-4239

SMILES

C[C@H](NC(=O)C(=C\C=C\C1=CC=CC(Br)=N1)\C#N)C2=CC=CC=C2

InChI

InChIKey=IVAUEQVCSQZMGV-QIUCFAMLSA-N
InChI=1S/C19H16BrN3O/c1-14(15-7-3-2-4-8-15)22-19(24)16(13-21)9-5-10-17-11-6-12-18(20)23-17/h2-12,14H,1H3,(H,22,24)/b10-5+,16-9+/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H16BrN3O
Molecular Weight 382.254
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:48:10 UTC 2023
Edited
by admin
on Sat Dec 16 14:48:10 UTC 2023
Record UNII
PTN9LJL6PY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MOL-4239
Code English
MOL4239
Code English
2,4-PENTADIENAMIDE, 5-(6-BROMO-2-PYRIDINYL)-2-CYANO-N-((1S)-1-PHENYLETHYL)-, (2E,4E)-
Systematic Name English
(2E,4E)-5-(6-BROMO-2-PYRIDINYL)-2-CYANO-N-((1S)-1-PHENYLETHYL)-2,4-PENTADIENAMIDE
Systematic Name English
WP1220
Code English
WP-1220
Code English
Code System Code Type Description
FDA UNII
PTN9LJL6PY
Created by admin on Sat Dec 16 14:48:10 UTC 2023 , Edited by admin on Sat Dec 16 14:48:10 UTC 2023
PRIMARY
PUBCHEM
44554865
Created by admin on Sat Dec 16 14:48:10 UTC 2023 , Edited by admin on Sat Dec 16 14:48:10 UTC 2023
PRIMARY
CAS
1204306-34-2
Created by admin on Sat Dec 16 14:48:10 UTC 2023 , Edited by admin on Sat Dec 16 14:48:10 UTC 2023
PRIMARY
SMS_ID
300000032579
Created by admin on Sat Dec 16 14:48:10 UTC 2023 , Edited by admin on Sat Dec 16 14:48:10 UTC 2023
PRIMARY
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