N-[3-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-yl]carbonyl-1-adamantyl]ethanamide

Systemtic Name: N-[3-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-yl]carbonyl-1-adamantyl]ethanamide Openeye Name: N-[3-[4-(2-methyl-2-phenyl-propanoyl)piperazine-1-carbonyl]-1-adamantyl]acetamide CAS Name: N-[3-[[4-(2-methyl-1-oxo-2-phenylpropyl)-1-piperazinyl]-oxomethyl]-1-adamantyl]acetamide IUPAC Name: N-[3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-1-adamantyl]acetamide Traditional Name: N-[3-[4-(2-methyl-2-phenyl-propanoyl)piperazine-1-carbonyl]-1-adamantyl]acetamide Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)N4CCN(CC4)C(=O)C(C)(C)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)N4CCN(CC4)C(=O)C(C)(C)C5=CC=CC=C5

InChI

InChI=1S/C27H37N3O3/c1-19(31)28-27-16-20-13-21(17-27)15-26(14-20,18-27)24(33)30-11-9-29(10-12-30)23(32)25(2,3)22-7-5-4-6-8-22/h4-8,20-21H,9-18H2,1-3H3,(H,28,31)