4-[[2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]-2-methyl-propanoyl]amino]adamantane-1-carboxamide

Systemtic Name: 4-[[2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]-2-methyl-propanoyl]amino]adamantane-1-carboxamide Openeye Name: 4-[[2-[4-(3-cyano-2-pyridyl)piperazin-1-yl]-2-methyl-propanoyl]amino]adamantane-1-carboxamide CAS Name: 4-[[2-[4-(3-cyano-2-pyridinyl)-1-piperazinyl]-2-methyl-1-oxopropyl]amino]-1-adamantanecarboxamide IUPAC Name: 4-[[2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]-2-methylpropanoyl]amino]adamantane-1-carboxamide Traditional Name: 4-[[2-[4-(3-cyano-2-pyridyl)piperazino]-2-methyl-propanoyl]amino]adamantane-1-carboxamide Formula: C25H34N6O2 MolecularWeight: 450.57646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)N)N4CCN(CC4)C5=C(C=CC=N5)C#N

Isomeric SMILES

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)N)N4CCN(CC4)C5=C(C=CC=N5)C#N

InChI

InChI=1S/C25H34N6O2/c1-24(2,31-8-6-30(7-9-31)21-17(15-26)4-3-5-28-21)23(33)29-20-18-10-16-11-19(20)14-25(12-16,13-18)22(27)32/h3-5,16,18-20H,6-14H2,1-2H3,(H2,27,32)(H,29,33)