N-[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[2-(2-chlorophenyl)-2-(1-pyrrolidinyl)ethyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[2-(2-chlorophenyl)-2-pyrrolidino-ethyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C27H32ClN3O2 MolecularWeight: 466.01488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(C1)C(CNC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3)C4=CC=CC=C4Cl

InChI

InChI=1S/C27H32ClN3O2/c28-24-11-5-4-10-23(24)25(30-16-6-7-17-30)20-29-27(33)22-14-18-31(19-15-22)26(32)13-12-21-8-2-1-3-9-21/h1-5,8-13,22,25H,6-7,14-20H2,(H,29,33)/b13-12+