4-chloranyl-N-[[(E)-[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-(5-ethyl-1,3-dioxan-5-yl)methyl]benzamide

Systemtic Name: 4-chloranyl-N-[[(E)-[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-(5-ethyl-1,3-dioxan-5-yl)methyl]benzamide Openeye Name: 4-chloro-N-[[(E)-[(cyanoamino)-(3-pyridylamino)methylene]amino]-(5-ethyl-1,3-dioxan-5-yl)methyl]benzamide CAS Name: 4-chloro-N-[[(E)-[(cyanoamino)-(3-pyridinylamino)methylidene]amino]-(5-ethyl-1,3-dioxan-5-yl)methyl]benzamide IUPAC Name: 4-chloro-N-[[(E)-[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-(5-ethyl-1,3-dioxan-5-yl)methyl]benzamide Traditional Name: 4-chloro-N-[[(E)-[(cyanoamino)-(3-pyridylamino)methylene]amino]-(5-ethyl-1,3-dioxan-5-yl)methyl]benzamide Formula: C21H23ClN6O3 MolecularWeight: 442.89872

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(COCOC1)C(NC(=O)C2=CC=C(C=C2)Cl)N=C(NC#N)NC3=CN=CC=C3

Isomeric SMILES

CCC1(COCOC1)C(NC(=O)C2=CC=C(C=C2)Cl)/N=C(/NC#N)\NC3=CN=CC=C3

InChI

InChI=1S/C21H23ClN6O3/c1-2-21(11-30-14-31-12-21)19(27-18(29)15-5-7-16(22)8-6-15)28-20(25-13-23)26-17-4-3-9-24-10-17/h3-10,19H,2,11-12,14H2,1H3,(H,27,29)(H2,25,26,28)