U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C15H16N2O
Molecular Weight 240.3003
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3,6,7-Tetrahydro-1H,5H-cyclopenta[b]pyrido[3,2,1-jk][1,5]benzodiazepin-8(9H)-one

SMILES

O=C1NC2=C3N(CCCC3=CC=C2)C4=C1CCC4

InChI

InChIKey=QOJIWWLKLUGOGI-UHFFFAOYSA-N
InChI=1S/C15H16N2O/c18-15-11-6-2-8-13(11)17-9-3-5-10-4-1-7-12(16-15)14(10)17/h1,4,7H,2-3,5-6,8-9H2,(H,16,18)

HIDE SMILES / InChI

Molecular Formula C15H16N2O
Molecular Weight 240.3003
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 12:58:18 GMT 2023
Edited
by admin
on Sat Dec 16 12:58:18 GMT 2023
Record UNII
7GD5V5E52Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3,6,7-Tetrahydro-1H,5H-cyclopenta[b]pyrido[3,2,1-jk][1,5]benzodiazepin-8(9H)-one
Systematic Name English
1H,5H-Cyclopenta[b]pyrido[3,2,1-jk][1,5]benzodiazepin-8(9H)-one, 2,3,6,7-tetrahydro-
Systematic Name English
2,3,10,11-Tetrahydro-1H,7H-cyclopenta(6,7)(1,4)diazepino(3,2,1-ij)quinolin-8(9H)-one
Systematic Name English
1,8-diazatetracyclo[7.7.1.02,6.013,17]heptadeca-2(6),9,11,13(17)-tetraen-7-one
Systematic Name English
NSC-204857
Code English
Code System Code Type Description
CAS
54012-87-2
Created by admin on Sat Dec 16 12:58:18 GMT 2023 , Edited by admin on Sat Dec 16 12:58:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID60202326
Created by admin on Sat Dec 16 12:58:18 GMT 2023 , Edited by admin on Sat Dec 16 12:58:18 GMT 2023
PRIMARY
NSC
204857
Created by admin on Sat Dec 16 12:58:18 GMT 2023 , Edited by admin on Sat Dec 16 12:58:18 GMT 2023
PRIMARY
FDA UNII
7GD5V5E52Q
Created by admin on Sat Dec 16 12:58:18 GMT 2023 , Edited by admin on Sat Dec 16 12:58:18 GMT 2023
PRIMARY
PUBCHEM
307124
Created by admin on Sat Dec 16 12:58:18 GMT 2023 , Edited by admin on Sat Dec 16 12:58:18 GMT 2023
PRIMARY