N-[4-[(3-chloranyl-4-cyano-phenyl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[(3-chloranyl-4-cyano-phenyl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-(3-chloro-4-cyano-anilino)-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-(3-chloro-4-cyanoanilino)-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(3-chloro-4-cyanoanilino)-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-(3-chloro-4-cyano-anilino)-4-keto-butyl]adamantane-1-carboxamide Formula: C22H26ClN3O2 MolecularWeight: 399.91374

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)NC4=CC(=C(C=C4)C#N)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)NC4=CC(=C(C=C4)C#N)Cl

InChI

InChI=1S/C22H26ClN3O2/c23-19-9-18(4-3-17(19)13-24)26-20(27)2-1-5-25-21(28)22-10-14-6-15(11-22)8-16(7-14)12-22/h3-4,9,14-16H,1-2,5-8,10-12H2,(H,25,28)(H,26,27)