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

Systemtic Name: 4-chloranyl-N-[4-cyano-1-[(E)-[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-2,2-dimethyl-butyl]benzamide Openeye Name: 4-chloro-N-[4-cyano-1-[(E)-[(cyanoamino)-(3-pyridylamino)methylene]amino]-2,2-dimethyl-butyl]benzamide CAS Name: 4-chloro-N-[4-cyano-1-[(E)-[(cyanoamino)-(3-pyridinylamino)methylidene]amino]-2,2-dimethylbutyl]benzamide IUPAC Name: 4-chloro-N-[4-cyano-1-[(E)-[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-2,2-dimethylbutyl]benzamide Traditional Name: 4-chloro-N-[4-cyano-1-[(E)-[(cyanoamino)-(3-pyridylamino)methylene]amino]-2,2-dimethyl-butyl]benzamide Formula: C21H22ClN7O MolecularWeight: 423.89868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN7O/c1-21(2,10-4-11-23)19(28-18(30)15-6-8-16(22)9-7-15)29-20(26-14-24)27-17-5-3-12-25-13-17/h3,5-9,12-13,19H,4,10H2,1-2H3,(H,28,30)(H2,26,27,29)