N-[3-[(2-adamantylamino)methyl]-5-(4-methylpiperazin-1-yl)carbonyl-phenyl]ethanamide

Systemtic Name: N-[3-[(2-adamantylamino)methyl]-5-(4-methylpiperazin-1-yl)carbonyl-phenyl]ethanamide Openeye Name: N-[3-[(2-adamantylamino)methyl]-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide CAS Name: N-[3-[(2-adamantylamino)methyl]-5-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]acetamide IUPAC Name: N-[3-[(2-adamantylamino)methyl]-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide Traditional Name: N-[3-[(2-adamantylamino)methyl]-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide Formula: C25H36N4O2 MolecularWeight: 424.57894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)CNC2C3CC4CC(C3)CC2C4)C(=O)N5CCN(CC5)C

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)CNC2C3CC4CC(C3)CC2C4)C(=O)N5CCN(CC5)C

InChI

InChI=1S/C25H36N4O2/c1-16(30)27-23-13-19(12-22(14-23)25(31)29-5-3-28(2)4-6-29)15-26-24-20-8-17-7-18(10-20)11-21(24)9-17/h12-14,17-18,20-21,24,26H,3-11,15H2,1-2H3,(H,27,30)