N-[2-[(3-iodanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[(3-iodanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-(3-iodo-4-methyl-anilino)-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-(3-iodo-4-methylanilino)-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-(3-iodo-4-methylanilino)-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-(3-iodo-4-methyl-anilino)-2-keto-ethyl]adamantane-1-carboxamide Formula: C20H25IN2O2 MolecularWeight: 452.32917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)I

InChI

InChI=1S/C20H25IN2O2/c1-12-2-3-16(7-17(12)21)23-18(24)11-22-19(25)20-8-13-4-14(9-20)6-15(5-13)10-20/h2-3,7,13-15H,4-6,8-11H2,1H3,(H,22,25)(H,23,24)