8-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]-N-(2-morpholin-4-ylethoxy)octanamide

Systemtic Name: 8-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]-N-(2-morpholin-4-ylethoxy)octanamide Openeye Name: 8-[[(cyanoamino)-(4-pyridylamino)methylene]amino]-N-(2-morpholinoethoxy)octanamide CAS Name: 8-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]-N-[2-(4-morpholinyl)ethoxy]octanamide IUPAC Name: 8-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]-N-(2-morpholin-4-ylethoxy)octanamide Traditional Name: 8-[[(cyanoamino)-(4-pyridylamino)methylene]amino]-N-(2-morpholinoethoxy)caprylamide Formula: C21H33N7O3 MolecularWeight: 431.53182

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCONC(=O)CCCCCCCN=C(NC#N)NC2=CC=NC=C2

Isomeric SMILES

C1COCCN1CCONC(=O)CCCCCCCN=C(NC#N)NC2=CC=NC=C2

InChI

InChI=1S/C21H33N7O3/c22-18-25-21(26-19-7-10-23-11-8-19)24-9-5-3-1-2-4-6-20(29)27-31-17-14-28-12-15-30-16-13-28/h7-8,10-11H,1-6,9,12-17H2,(H,27,29)(H2,23,24,25,26)