N-phenethyl-1-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]piperidine-4-carboxamide

Systemtic Name: N-phenethyl-1-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]piperidine-4-carboxamide Openeye Name: N-phenethyl-1-[1-[(E)-3-phenylprop-2-enoyl]-4-piperidyl]piperidine-4-carboxamide CAS Name: 1-[1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinyl]-N-phenethyl-4-piperidinecarboxamide IUPAC Name: N-phenethyl-1-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]piperidine-4-carboxamide Traditional Name: N-phenethyl-1-[1-[(E)-3-phenylacryloyl]-4-piperidyl]isonipecotamide Formula: C28H35N3O2 MolecularWeight: 445.5964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC2=CC=CC=C2)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NCCC2=CC=CC=C2)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C28H35N3O2/c32-27(12-11-23-7-3-1-4-8-23)31-21-16-26(17-22-31)30-19-14-25(15-20-30)28(33)29-18-13-24-9-5-2-6-10-24/h1-12,25-26H,13-22H2,(H,29,33)/b12-11+