4-chloranyl-N-[4-cyano-1-[(E)-[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-2,2-bis(trifluoromethyl)butyl]benzamide

Systemtic Name: 4-chloranyl-N-[4-cyano-1-[(E)-[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-2,2-bis(trifluoromethyl)butyl]benzamide Openeye Name: 4-chloro-N-[4-cyano-1-[(E)-[(cyanoamino)-(3-pyridylamino)methylene]amino]-2,2-bis(trifluoromethyl)butyl]benzamide CAS Name: 4-chloro-N-[4-cyano-1-[(E)-[(cyanoamino)-(3-pyridinylamino)methylidene]amino]-2,2-bis(trifluoromethyl)butyl]benzamide IUPAC Name: 4-chloro-N-[4-cyano-1-[(E)-[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-2,2-bis(trifluoromethyl)butyl]benzamide Traditional Name: 4-chloro-N-[4-cyano-1-[(E)-[(cyanoamino)-(3-pyridylamino)methylene]amino]-2,2-bis(trifluoromethyl)butyl]benzamide Formula: C21H16ClF6N7O MolecularWeight: 531.841459

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)NC(=NC(C(CCC#N)(C(F)(F)F)C(F)(F)F)NC(=O)C2=CC=C(C=C2)Cl)NC#N

Isomeric SMILES

C1=CC(=CN=C1)N/C(=N\C(C(CCC#N)(C(F)(F)F)C(F)(F)F)NC(=O)C2=CC=C(C=C2)Cl)/NC#N

InChI

InChI=1S/C21H16ClF6N7O/c22-14-6-4-13(5-7-14)16(36)34-17(19(8-2-9-29,20(23,24)25)21(26,27)28)35-18(32-12-30)33-15-3-1-10-31-11-15/h1,3-7,10-11,17H,2,8H2,(H,34,36)(H2,32,33,35)