N-(1-adamantylcarbamoyl)-2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]propanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]propionamide Formula: C26H43N5O3 MolecularWeight: 473.65132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)N4CCN(CC4)CC(=O)N5CCCCCC5

Isomeric SMILES

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)N4CCN(CC4)CC(=O)N5CCCCCC5

InChI

InChI=1S/C26H43N5O3/c1-19(30-10-8-29(9-11-30)18-23(32)31-6-4-2-3-5-7-31)24(33)27-25(34)28-26-15-20-12-21(16-26)14-22(13-20)17-26/h19-22H,2-18H2,1H3,(H2,27,28,33,34)