N-(6-chloranyl-1,3-benzodioxol-5-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-(6-chloranyl-1,3-benzodioxol-5-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-(6-chloro-1,3-benzodioxol-5-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-(6-chloro-1,3-benzodioxol-5-yl)-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-(6-chloro-1,3-benzodioxol-5-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(6-chloro-1,3-benzodioxol-5-yl)-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2Cl)OCO3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2Cl)OCO3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C22H21ClN2O4/c23-17-12-19-20(29-14-28-19)13-18(17)24-22(27)16-8-10-25(11-9-16)21(26)7-6-15-4-2-1-3-5-15/h1-7,12-13,16H,8-11,14H2,(H,24,27)/b7-6+