(2R)-N-(1-adamantyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide

Systemtic Name: (2R)-N-(1-adamantyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide Openeye Name: (2R)-N-(1-adamantyl)-2-[4-[(E)-cinnamyl]piperazin-1-yl]propanamide CAS Name: (2R)-N-(1-adamantyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]propanamide IUPAC Name: (2R)-N-(1-adamantyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide Traditional Name: (2R)-N-(1-adamantyl)-2-[4-[(E)-cinnamyl]piperazino]propionamide Formula: C26H37N3O MolecularWeight: 407.59148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)N4CCN(CC4)CC=CC5=CC=CC=C5

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)N4CCN(CC4)C/C=C/C5=CC=CC=C5

InChI

InChI=1S/C26H37N3O/c1-20(25(30)27-26-17-22-14-23(18-26)16-24(15-22)19-26)29-12-10-28(11-13-29)9-5-8-21-6-3-2-4-7-21/h2-8,20,22-24H,9-19H2,1H3,(H,27,30)/b8-5+/t20-,22?,23?,24?,26?/m1/s1