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

Systemtic Name: 4-chloranyl-N-[1-[(E)-[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-4-methoxy-2,2-dimethyl-butyl]benzamide Openeye Name: 4-chloro-N-[1-[(E)-[(cyanoamino)-(3-pyridylamino)methylene]amino]-4-methoxy-2,2-dimethyl-butyl]benzamide CAS Name: 4-chloro-N-[1-[(E)-[(cyanoamino)-(3-pyridinylamino)methylidene]amino]-4-methoxy-2,2-dimethylbutyl]benzamide IUPAC Name: 4-chloro-N-[1-[(E)-[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-4-methoxy-2,2-dimethylbutyl]benzamide Traditional Name: 4-chloro-N-[1-[(E)-[(cyanoamino)-(3-pyridylamino)methylene]amino]-4-methoxy-2,2-dimethyl-butyl]benzamide Formula: C21H25ClN6O2 MolecularWeight: 428.9152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN6O2/c1-21(2,10-12-30-3)19(27-18(29)15-6-8-16(22)9-7-15)28-20(25-14-23)26-17-5-4-11-24-13-17/h4-9,11,13,19H,10,12H2,1-3H3,(H,27,29)(H2,25,26,28)