N-[1-[(4-chloranyl-3-cyano-phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[1-[(4-chloranyl-3-cyano-phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[1-[(4-chloro-3-cyano-phenyl)carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[1-(4-chloro-3-cyanoanilino)-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[1-(4-chloro-3-cyanoanilino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[1-[(4-chloro-3-cyano-phenyl)carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C23H28ClN3O2 MolecularWeight: 413.94032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC(=C(C=C1)Cl)C#N)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)C(C(=O)NC1=CC(=C(C=C1)Cl)C#N)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H28ClN3O2/c1-13(2)20(21(28)26-18-3-4-19(24)17(8-18)12-25)27-22(29)23-9-14-5-15(10-23)7-16(6-14)11-23/h3-4,8,13-16,20H,5-7,9-11H2,1-2H3,(H,26,28)(H,27,29)