8-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]-N-phenoxy-octanamide

Systemtic Name: 8-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]-N-phenoxy-octanamide Openeye Name: 8-[[(cyanoamino)-(4-pyridylamino)methylene]amino]-N-phenoxy-octanamide CAS Name: 8-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]-N-phenoxyoctanamide IUPAC Name: 8-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]-N-phenoxyoctanamide Traditional Name: 8-[[(cyanoamino)-(4-pyridylamino)methylene]amino]-N-phenoxy-caprylamide Formula: C21H26N6O2 MolecularWeight: 394.47014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)ONC(=O)CCCCCCCN=C(NC#N)NC2=CC=NC=C2

Isomeric SMILES

C1=CC=C(C=C1)ONC(=O)CCCCCCCN=C(NC#N)NC2=CC=NC=C2

InChI

InChI=1S/C21H26N6O2/c22-17-25-21(26-18-12-15-23-16-13-18)24-14-8-3-1-2-7-11-20(28)27-29-19-9-5-4-6-10-19/h4-6,9-10,12-13,15-16H,1-3,7-8,11,14H2,(H,27,28)(H2,23,24,25,26)