4-[[2-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-methyl-propanoyl]amino]adamantane-1-carboxamide

Systemtic Name: 4-[[2-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-methyl-propanoyl]amino]adamantane-1-carboxamide Openeye Name: 4-[[2-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-methyl-propanoyl]amino]adamantane-1-carboxamide CAS Name: 4-[[2-[4-(2,4-dimethoxyphenyl)-1-piperazinyl]-2-methyl-1-oxopropyl]amino]-1-adamantanecarboxamide IUPAC Name: 4-[[2-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-2-methylpropanoyl]amino]adamantane-1-carboxamide Traditional Name: 4-[[2-[4-(2,4-dimethoxyphenyl)piperazino]-2-methyl-propanoyl]amino]adamantane-1-carboxamide Formula: C27H40N4O4 MolecularWeight: 484.6309

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)N)N4CCN(CC4)C5=C(C=C(C=C5)OC)OC

Isomeric SMILES

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)N)N4CCN(CC4)C5=C(C=C(C=C5)OC)OC

InChI

InChI=1S/C27H40N4O4/c1-26(2,31-9-7-30(8-10-31)21-6-5-20(34-3)13-22(21)35-4)25(33)29-23-18-11-17-12-19(23)16-27(14-17,15-18)24(28)32/h5-6,13,17-19,23H,7-12,14-16H2,1-4H3,(H2,28,32)(H,29,33)