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

Systemtic Name: 4-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-propanoyl]amino]adamantane-1-carboxamide Openeye Name: 4-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-propanoyl]amino]adamantane-1-carboxamide CAS Name: 4-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-methyl-1-oxopropyl]amino]-1-adamantanecarboxamide IUPAC Name: 4-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropanoyl]amino]adamantane-1-carboxamide Traditional Name: 4-[[2-[4-(2-methoxyphenyl)piperazino]-2-methyl-propanoyl]amino]adamantane-1-carboxamide Formula: C26H38N4O3 MolecularWeight: 454.60492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)N)N4CCN(CC4)C5=CC=CC=C5OC

Isomeric SMILES

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)N)N4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C26H38N4O3/c1-25(2,30-10-8-29(9-11-30)20-6-4-5-7-21(20)33-3)24(32)28-22-18-12-17-13-19(22)16-26(14-17,15-18)23(27)31/h4-7,17-19,22H,8-16H2,1-3H3,(H2,27,31)(H,28,32)