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Details

Stereochemistry ACHIRAL
Molecular Formula C14H13N3O
Molecular Weight 239.2725
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,7-DIHYDRO-6-METHYL-5-PHENYLPYRROLO(3,4-E)-1,4-DIAZEPIN-2(1H)-ONE

SMILES

CC1=C2C(NC(=O)CN=C2C3=CC=CC=C3)=CN1

InChI

InChIKey=USVSPFRJTFLOCQ-UHFFFAOYSA-N
InChI=1S/C14H13N3O/c1-9-13-11(7-15-9)17-12(18)8-16-14(13)10-5-3-2-4-6-10/h2-7,15H,8H2,1H3,(H,17,18)

HIDE SMILES / InChI

Molecular Formula C14H13N3O
Molecular Weight 239.2725
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 Sat Dec 16 12:57:48 GMT 2023
Edited
by admin
on Sat Dec 16 12:57:48 GMT 2023
Record UNII
XUJ0HZP70M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,7-DIHYDRO-6-METHYL-5-PHENYLPYRROLO(3,4-E)-1,4-DIAZEPIN-2(1H)-ONE
Systematic Name English
PYRROLO(3,4-E)(1,4)DIAZEPIN-2(1H)-ONE, 3,7-DIHYDRO-6-METHYL-5-PHENYL-
Systematic Name English
NSC-290939
Code English
PYRROLO(3,4-E)-1,4-DIAZEPIN-2(1H)-ONE, 3,7-DIHYDRO-6-METHYL-5-PHENYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00206025
Created by admin on Sat Dec 16 12:57:48 GMT 2023 , Edited by admin on Sat Dec 16 12:57:48 GMT 2023
PRIMARY
PUBCHEM
198359
Created by admin on Sat Dec 16 12:57:48 GMT 2023 , Edited by admin on Sat Dec 16 12:57:48 GMT 2023
PRIMARY
CAS
57435-84-4
Created by admin on Sat Dec 16 12:57:48 GMT 2023 , Edited by admin on Sat Dec 16 12:57:48 GMT 2023
PRIMARY
NSC
290939
Created by admin on Sat Dec 16 12:57:48 GMT 2023 , Edited by admin on Sat Dec 16 12:57:48 GMT 2023
PRIMARY
FDA UNII
XUJ0HZP70M
Created by admin on Sat Dec 16 12:57:48 GMT 2023 , Edited by admin on Sat Dec 16 12:57:48 GMT 2023
PRIMARY