3-(1-adamantylcarbamoylamino)-N-(4-iodanyl-2-methyl-phenyl)propanamide

Systemtic Name: 3-(1-adamantylcarbamoylamino)-N-(4-iodanyl-2-methyl-phenyl)propanamide Openeye Name: 3-(1-adamantylcarbamoylamino)-N-(4-iodo-2-methyl-phenyl)propanamide CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]-N-(4-iodo-2-methylphenyl)propanamide IUPAC Name: 3-(1-adamantylcarbamoylamino)-N-(4-iodo-2-methylphenyl)propanamide Traditional Name: 3-(1-adamantylcarbamoylamino)-N-(4-iodo-2-methyl-phenyl)propionamide Formula: C21H28IN3O2 MolecularWeight: 481.37039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H28IN3O2/c1-13-6-17(22)2-3-18(13)24-19(26)4-5-23-20(27)25-21-10-14-7-15(11-21)9-16(8-14)12-21/h2-3,6,14-16H,4-5,7-12H2,1H3,(H,24,26)(H2,23,25,27)