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

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H32N6O5
Molecular Weight 556.6123
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CECLAZEPIDE

SMILES

CNC1=CC(NC(=O)N[C@@H]2N=C(C3=NC=CC=C3)C4=CC=CC=C4N(CC(=O)C(C)(C)COC(C)=O)C2=O)=CC=C1

InChI

InChIKey=GPEYTRIZYSZRRK-MHZLTWQESA-N
InChI=1S/C30H32N6O5/c1-19(37)41-18-30(2,3)25(38)17-36-24-14-6-5-12-22(24)26(23-13-7-8-15-32-23)34-27(28(36)39)35-29(40)33-21-11-9-10-20(16-21)31-4/h5-16,27,31H,17-18H2,1-4H3,(H2,33,35,40)/t27-/m0/s1

HIDE SMILES / InChI

Approval Year