7-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]-N-phenylmethoxy-heptanamide

Systemtic Name: 7-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]-N-phenylmethoxy-heptanamide Openeye Name: N-benzyloxy-7-[[(cyanoamino)-(4-pyridylamino)methylene]amino]heptanamide CAS Name: 7-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]-N-phenylmethoxyheptanamide IUPAC Name: 7-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]-N-phenylmethoxyheptanamide Traditional Name: N-benzoxy-7-[[(cyanoamino)-(4-pyridylamino)methylene]amino]enanthamide Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CONC(=O)CCCCCCN=C(NC#N)NC2=CC=NC=C2

Isomeric SMILES

C1=CC=C(C=C1)CONC(=O)CCCCCCN=C(NC#N)NC2=CC=NC=C2

InChI

InChI=1S/C21H26N6O2/c22-17-25-21(26-19-11-14-23-15-12-19)24-13-7-2-1-6-10-20(28)27-29-16-18-8-4-3-5-9-18/h3-5,8-9,11-12,14-15H,1-2,6-7,10,13,16H2,(H,27,28)(H2,23,24,25,26)