U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C19H23N3
Molecular Weight 293.406
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of NCD-4

SMILES

CN(C)C1=C2C=CC=CC2=C(C=C1)N=C=NC3CCCCC3

InChI

InChIKey=HAVINNWJVRVGNR-UHFFFAOYSA-N
InChI=1S/C19H23N3/c1-22(2)19-13-12-18(16-10-6-7-11-17(16)19)21-14-20-15-8-4-3-5-9-15/h6-7,10-13,15H,3-5,8-9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C19H23N3
Molecular Weight 293.406
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
DFN1ZK41CG
Record Status Validated (UNII)
Record Version