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

Systemtic Name: N-[3-[(3-iodanyl-4-methyl-phenyl)amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-(3-iodo-4-methyl-anilino)-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-(3-iodo-4-methylanilino)-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(3-iodo-4-methylanilino)-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-(3-iodo-4-methyl-anilino)-3-keto-propyl]adamantane-1-carboxamide Formula: C21H27IN2O2 MolecularWeight: 466.35575

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27IN2O2/c1-13-2-3-17(9-18(13)22)24-19(25)4-5-23-20(26)21-10-14-6-15(11-21)8-16(7-14)12-21/h2-3,9,14-16H,4-8,10-12H2,1H3,(H,23,26)(H,24,25)