4-[[2-methyl-2-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]oxy-propanoyl]amino]adamantane-1-carboxamide

Systemtic Name: 4-[[2-methyl-2-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]oxy-propanoyl]amino]adamantane-1-carboxamide Openeye Name: 4-[[2-methyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridyl]oxy]propanoyl]amino]adamantane-1-carboxamide CAS Name: 4-[[2-methyl-2-[[5-(4-methyl-1-piperazinyl)-2-pyridinyl]oxy]-1-oxopropyl]amino]-1-adamantanecarboxamide IUPAC Name: 4-[[2-methyl-2-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]oxypropanoyl]amino]adamantane-1-carboxamide Traditional Name: 4-[[2-methyl-2-[[5-(4-methylpiperazino)-2-pyridyl]oxy]propanoyl]amino]adamantane-1-carboxamide Formula: C25H37N5O3 MolecularWeight: 455.59298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)N)OC4=NC=C(C=C4)N5CCN(CC5)C

Isomeric SMILES

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)N)OC4=NC=C(C=C4)N5CCN(CC5)C

InChI

InChI=1S/C25H37N5O3/c1-24(2,33-20-5-4-19(15-27-20)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)