N-(1-adamantylcarbamoyl)-2-[4-(4-ethanoylphenyl)piperazin-1-yl]propanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[4-(4-ethanoylphenyl)piperazin-1-yl]propanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(1-adamantylcarbamoyl)propanamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]-N-[(1-adamantylamino)-oxomethyl]propanamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(1-adamantylcarbamoyl)propanamide Traditional Name: 2-[4-(4-acetylphenyl)piperazino]-N-(1-adamantylcarbamoyl)propionamide Formula: C26H36N4O3 MolecularWeight: 452.58904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N4O3/c1-17(29-7-9-30(10-8-29)23-5-3-22(4-6-23)18(2)31)24(32)27-25(33)28-26-14-19-11-20(15-26)13-21(12-19)16-26/h3-6,17,19-21H,7-16H2,1-2H3,(H2,27,28,32,33)