4-[[2-methyl-2-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanoyl]amino]adamantane-1-carboxamide

Systemtic Name: 4-[[2-methyl-2-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanoyl]amino]adamantane-1-carboxamide Openeye Name: 4-[[2-methyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridyl]propanoyl]amino]adamantane-1-carboxamide CAS Name: 4-[[2-methyl-2-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-1-oxopropyl]amino]-1-adamantanecarboxamide IUPAC Name: 4-[[2-methyl-2-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanoyl]amino]adamantane-1-carboxamide Traditional Name: 4-[[2-methyl-2-[6-(4-methylpiperazino)-3-pyridyl]propanoyl]amino]adamantane-1-carboxamide Formula: C25H37N5O2 MolecularWeight: 439.59358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CN=C(C=C1)N2CCN(CC2)C)C(=O)NC3C4CC5CC3CC(C5)(C4)C(=O)N

Isomeric SMILES

CC(C)(C1=CN=C(C=C1)N2CCN(CC2)C)C(=O)NC3C4CC5CC3CC(C5)(C4)C(=O)N

InChI

InChI=1S/C25H37N5O2/c1-24(2,19-4-5-20(27-15-19)30-8-6-29(3)7-9-30)23(32)28-21-17-10-16-11-18(21)14-25(12-16,13-17)22(26)31/h4-5,15-18,21H,6-14H2,1-3H3,(H2,26,31)(H,28,32)