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

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[4-[(E)-cinnamyl]piperazin-1-yl]propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[4-[(E)-cinnamyl]piperazino]propionamide Formula: C27H38N4O2 MolecularWeight: 450.61622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N4O2/c1-20(31-12-10-30(11-13-31)9-5-8-21-6-3-2-4-7-21)25(32)28-26(33)29-27-17-22-14-23(18-27)16-24(15-22)19-27/h2-8,20,22-24H,9-19H2,1H3,(H2,28,29,32,33)/b8-5+