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

Systemtic Name: 1-[(E)-3-phenylprop-2-enoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Openeye Name: 1-[(E)-3-phenylprop-2-enoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-[(E)-3-phenylprop-2-enoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Traditional Name: 1-[(E)-3-phenylacryloyl]-N-[4-(pyrrolidinomethyl)benzyl]isonipecotamide Formula: C27H33N3O2 MolecularWeight: 431.56982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)CNC(=O)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)CNC(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H33N3O2/c31-26(13-12-22-6-2-1-3-7-22)30-18-14-25(15-19-30)27(32)28-20-23-8-10-24(11-9-23)21-29-16-4-5-17-29/h1-3,6-13,25H,4-5,14-21H2,(H,28,32)/b13-12+