N-(1-adamantylmethyl)-N-methyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-N-methyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-(1-adamantylmethyl)-N-methyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-(1-adamantylmethyl)-N-methyl-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-N-methyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(1-adamantylmethyl)-N-methyl-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C27H36N2O2 MolecularWeight: 420.58694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC12CC3CC(C1)CC(C3)C2)C(=O)C4CCN(CC4)C(=O)C=CC5=CC=CC=C5

Isomeric SMILES

CN(CC12CC3CC(C1)CC(C3)C2)C(=O)C4CCN(CC4)C(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C27H36N2O2/c1-28(19-27-16-21-13-22(17-27)15-23(14-21)18-27)26(31)24-9-11-29(12-10-24)25(30)8-7-20-5-3-2-4-6-20/h2-8,21-24H,9-19H2,1H3/b8-7+