N-[3-methyl-1-oxidanylidene-1-[4-[2-oxidanylidene-2-(propylamino)ethyl]piperazin-1-yl]butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[3-methyl-1-oxidanylidene-1-[4-[2-oxidanylidene-2-(propylamino)ethyl]piperazin-1-yl]butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[2-methyl-1-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carbonyl]propyl]adamantane-1-carboxamide CAS Name: N-[3-methyl-1-oxo-1-[4-[2-oxo-2-(propylamino)ethyl]-1-piperazinyl]butan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[3-methyl-1-oxo-1-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]butan-2-yl]adamantane-1-carboxamide Traditional Name: N-[1-[4-[2-keto-2-(propylamino)ethyl]piperazine-1-carbonyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C25H42N4O3 MolecularWeight: 446.62598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN1CCN(CC1)C(=O)C(C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCNC(=O)CN1CCN(CC1)C(=O)C(C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H42N4O3/c1-4-5-26-21(30)16-28-6-8-29(9-7-28)23(31)22(17(2)3)27-24(32)25-13-18-10-19(14-25)12-20(11-18)15-25/h17-20,22H,4-16H2,1-3H3,(H,26,30)(H,27,32)