N-[4-[(3-iodanylphenyl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[(3-iodanylphenyl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-(3-iodoanilino)-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-(3-iodoanilino)-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(3-iodoanilino)-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-(3-iodoanilino)-4-keto-butyl]adamantane-1-carboxamide Formula: C21H27IN2O2 MolecularWeight: 466.35575

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)NC4=CC(=CC=C4)I

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)NC4=CC(=CC=C4)I

InChI

InChI=1S/C21H27IN2O2/c22-17-3-1-4-18(10-17)24-19(25)5-2-6-23-20(26)21-11-14-7-15(12-21)9-16(8-14)13-21/h1,3-4,10,14-16H,2,5-9,11-13H2,(H,23,26)(H,24,25)