4-chloranyl-N-[1-[[2,2-dicyano-1-(pyridin-3-ylamino)ethenyl]amino]-2,2-dimethyl-propyl]benzamide

Systemtic Name: 4-chloranyl-N-[1-[[2,2-dicyano-1-(pyridin-3-ylamino)ethenyl]amino]-2,2-dimethyl-propyl]benzamide Openeye Name: 4-chloro-N-[1-[[2,2-dicyano-1-(3-pyridylamino)vinyl]amino]-2,2-dimethyl-propyl]benzamide CAS Name: 4-chloro-N-[1-[[2,2-dicyano-1-(3-pyridinylamino)ethenyl]amino]-2,2-dimethylpropyl]benzamide IUPAC Name: 4-chloro-N-[1-[[2,2-dicyano-1-(pyridin-3-ylamino)ethenyl]amino]-2,2-dimethylpropyl]benzamide Traditional Name: 4-chloro-N-[1-[[2,2-dicyano-1-(3-pyridylamino)vinyl]amino]-2,2-dimethyl-propyl]benzamide Formula: C21H21ClN6O MolecularWeight: 408.88404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN6O/c1-21(2,3)20(28-19(29)14-6-8-16(22)9-7-14)27-18(15(11-23)12-24)26-17-5-4-10-25-13-17/h4-10,13,20,26-27H,1-3H3,(H,28,29)