4-methyl-N-[[3-[[(4-methylpiperazin-1-yl)carbonylamino]methyl]-1-adamantyl]methyl]piperazine-1-carboxamide

Systemtic Name: 4-methyl-N-[[3-[[(4-methylpiperazin-1-yl)carbonylamino]methyl]-1-adamantyl]methyl]piperazine-1-carboxamide Openeye Name: 4-methyl-N-[[3-[[(4-methylpiperazine-1-carbonyl)amino]methyl]-1-adamantyl]methyl]piperazine-1-carboxamide CAS Name: 4-methyl-N-[[3-[[[(4-methyl-1-piperazinyl)-oxomethyl]amino]methyl]-1-adamantyl]methyl]-1-piperazinecarboxamide IUPAC Name: 4-methyl-N-[[3-[[(4-methylpiperazine-1-carbonyl)amino]methyl]-1-adamantyl]methyl]piperazine-1-carboxamide Traditional Name: 4-methyl-N-[[3-[[(4-methylpiperazine-1-carbonyl)amino]methyl]-1-adamantyl]methyl]piperazine-1-carboxamide Formula: C24H42N6O2 MolecularWeight: 446.62928

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)NCC23CC4CC(C2)CC(C4)(C3)CNC(=O)N5CCN(CC5)C

Isomeric SMILES

CN1CCN(CC1)C(=O)NCC23CC4CC(C2)CC(C4)(C3)CNC(=O)N5CCN(CC5)C

InChI

InChI=1S/C24H42N6O2/c1-27-3-7-29(8-4-27)21(31)25-17-23-12-19-11-20(13-23)15-24(14-19,16-23)18-26-22(32)30-9-5-28(2)6-10-30/h19-20H,3-18H2,1-2H3,(H,25,31)(H,26,32)