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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H24N4O4
Molecular Weight 420.4611
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BRENSOCATIB

SMILES

CN1C(=O)OC2=CC=C(C=C12)C3=CC=C(C[C@H](NC(=O)[C@@H]4CNCCCO4)C#N)C=C3

InChI

InChIKey=AEXFXNFMSAAELR-RXVVDRJESA-N
InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1

HIDE SMILES / InChI

Approval Year