4-tert-butyl-N-[3-[(3-chloranyl-4-cyano-phenyl)amino]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[(3-chloranyl-4-cyano-phenyl)amino]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-tert-butyl-N-[3-(3-chloro-4-cyano-anilino)-3-oxo-propyl]benzamide CAS Name: 4-tert-butyl-N-[3-(3-chloro-4-cyanoanilino)-3-oxopropyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-(3-chloro-4-cyanoanilino)-3-oxopropyl]benzamide Traditional Name: 4-tert-butyl-N-[3-(3-chloro-4-cyano-anilino)-3-keto-propyl]benzamide Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O2/c1-21(2,3)16-7-4-14(5-8-16)20(27)24-11-10-19(26)25-17-9-6-15(13-23)18(22)12-17/h4-9,12H,10-11H2,1-3H3,(H,24,27)(H,25,26)