4-chloranyl-N-[1-[(E)-[(cyanoamino)-[(4-ethylpyridin-3-yl)amino]methylidene]amino]-2,2-dimethyl-propyl]-2-fluoranyl-benzamide

Systemtic Name: 4-chloranyl-N-[1-[(E)-[(cyanoamino)-[(4-ethylpyridin-3-yl)amino]methylidene]amino]-2,2-dimethyl-propyl]-2-fluoranyl-benzamide Openeye Name: 4-chloro-N-[1-[(E)-[(cyanoamino)-[(4-ethyl-3-pyridyl)amino]methylene]amino]-2,2-dimethyl-propyl]-2-fluoro-benzamide CAS Name: 4-chloro-N-[1-[(E)-[(cyanoamino)-[(4-ethyl-3-pyridinyl)amino]methylidene]amino]-2,2-dimethylpropyl]-2-fluorobenzamide IUPAC Name: 4-chloro-N-[1-[(E)-[(cyanoamino)-[(4-ethylpyridin-3-yl)amino]methylidene]amino]-2,2-dimethylpropyl]-2-fluorobenzamide Traditional Name: 4-chloro-N-[1-[(E)-[(cyanoamino)-[(4-ethyl-3-pyridyl)amino]methylene]amino]-2,2-dimethyl-propyl]-2-fluoro-benzamide Formula: C21H24ClFN6O MolecularWeight: 430.906263

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NC=C1)NC(=NC(C(C)(C)C)NC(=O)C2=C(C=C(C=C2)Cl)F)NC#N

Isomeric SMILES

CCC1=C(C=NC=C1)N/C(=N\C(C(C)(C)C)NC(=O)C2=C(C=C(C=C2)Cl)F)/NC#N

InChI

InChI=1S/C21H24ClFN6O/c1-5-13-8-9-25-11-17(13)27-20(26-12-24)29-19(21(2,3)4)28-18(30)15-7-6-14(22)10-16(15)23/h6-11,19H,5H2,1-4H3,(H,28,30)(H2,26,27,29)