N-[3-methyl-1-[4-(3-methylbutanoyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[3-methyl-1-[4-(3-methylbutanoyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[2-methyl-1-[4-(3-methylbutanoyl)piperazine-1-carbonyl]propyl]adamantane-1-carboxamide CAS Name: N-[3-methyl-1-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[3-methyl-1-[4-(3-methylbutanoyl)piperazin-1-yl]-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[1-(4-isovalerylpiperazine-1-carbonyl)-2-methyl-propyl]adamantane-1-carboxamide Formula: C25H41N3O3 MolecularWeight: 431.61134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C(=O)C(C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C(=O)C(C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H41N3O3/c1-16(2)9-21(29)27-5-7-28(8-6-27)23(30)22(17(3)4)26-24(31)25-13-18-10-19(14-25)12-20(11-18)15-25/h16-20,22H,5-15H2,1-4H3,(H,26,31)