3-(1-adamantylcarbamoylamino)-N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]propanamide

Systemtic Name: 3-(1-adamantylcarbamoylamino)-N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]propanamide Openeye Name: 3-(1-adamantylcarbamoylamino)-N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]propanamide CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide IUPAC Name: 3-(1-adamantylcarbamoylamino)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide Traditional Name: 3-(1-adamantylcarbamoylamino)-N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]propionamide Formula: C23H31BrN4O3 MolecularWeight: 491.42124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31BrN4O3/c1-14-6-18(24)2-3-19(14)27-21(30)13-26-20(29)4-5-25-22(31)28-23-10-15-7-16(11-23)9-17(8-15)12-23/h2-3,6,15-17H,4-5,7-13H2,1H3,(H,26,29)(H,27,30)(H2,25,28,31)