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

Systemtic Name: N-[1-(phenylmethyl)piperidin-4-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-N-[1-(phenylmethyl)-4-piperidinyl]-4-piperidinecarboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C27H33N3O2 MolecularWeight: 431.56982

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2CCN(CC2)CC3=CC=CC=C3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2CCN(CC2)CC3=CC=CC=C3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H33N3O2/c31-26(12-11-22-7-3-1-4-8-22)30-19-13-24(14-20-30)27(32)28-25-15-17-29(18-16-25)21-23-9-5-2-6-10-23/h1-12,24-25H,13-21H2,(H,28,32)/b12-11+