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Details

Stereochemistry ACHIRAL
Molecular Formula C21H21N3O2
Molecular Weight 347.4103
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Coumarin 30

SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C3=NC4=C(C=CC=C4)N3C)C(=O)O2

InChI

InChIKey=KZFUMWVJJNDGAU-UHFFFAOYSA-N
InChI=1S/C21H21N3O2/c1-4-24(5-2)15-11-10-14-12-16(21(25)26-19(14)13-15)20-22-17-8-6-7-9-18(17)23(20)3/h6-13H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C21H21N3O2
Molecular Weight 347.4103
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:06:18 GMT 2025
Edited
by admin
on Tue Apr 01 20:06:18 GMT 2025
Record UNII
CT7C6AR5DD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-290433
Preferred Name English
Coumarin 30
Common Name English
2H-1-Benzopyran-2-one, 7-(diethylamino)-3-(1-methyl-1H-benzimidazol-2-yl)-
Systematic Name English
Coumarin, 7-(diethylamino)-3-(1-methyl-2-benzimidazolyl)-
Systematic Name English
7-(Diethylamino)-3-(1-methyl-1H-benzimidazol-2-yl)-2-benzopyrone
Systematic Name English
7-(Diethylamino)-3-(1-methyl-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
Systematic Name English
7-(Diethylamino)-3-(1-methyl-2-benzimidazolyl)coumarin
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
255-186-8
Created by admin on Tue Apr 01 20:06:18 GMT 2025 , Edited by admin on Tue Apr 01 20:06:18 GMT 2025
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NSC
290433
Created by admin on Tue Apr 01 20:06:18 GMT 2025 , Edited by admin on Tue Apr 01 20:06:18 GMT 2025
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EPA CompTox
DTXSID6068272
Created by admin on Tue Apr 01 20:06:18 GMT 2025 , Edited by admin on Tue Apr 01 20:06:18 GMT 2025
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PUBCHEM
100335
Created by admin on Tue Apr 01 20:06:18 GMT 2025 , Edited by admin on Tue Apr 01 20:06:18 GMT 2025
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CAS
41044-12-6
Created by admin on Tue Apr 01 20:06:18 GMT 2025 , Edited by admin on Tue Apr 01 20:06:18 GMT 2025
PRIMARY
FDA UNII
CT7C6AR5DD
Created by admin on Tue Apr 01 20:06:18 GMT 2025 , Edited by admin on Tue Apr 01 20:06:18 GMT 2025
PRIMARY