6-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]hexyl 4-chloranylbenzoate

Systemtic Name: 6-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]hexyl 4-chloranylbenzoate Openeye Name: 6-[[(cyanoamino)-(4-pyridylamino)methylene]amino]hexyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid 6-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]hexyl ester IUPAC Name: 6-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]hexyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 6-[[(cyanoamino)-(4-pyridylamino)methylene]amino]hexyl ester Formula: C20H22ClN5O2 MolecularWeight: 399.87398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCCCCCN=C(NC#N)NC2=CC=NC=C2)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCCCCCN=C(NC#N)NC2=CC=NC=C2)Cl

InChI

InChI=1S/C20H22ClN5O2/c21-17-7-5-16(6-8-17)19(27)28-14-4-2-1-3-11-24-20(25-15-22)26-18-9-12-23-13-10-18/h5-10,12-13H,1-4,11,14H2,(H2,23,24,25,26)