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

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[2-(dimethylamino)-2-(3-thiophenyl)ethyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1CCN(CC1)C(=O)C=CC2=CC=CC=C2)C3=CSC=C3

Isomeric SMILES

CN(C)C(CNC(=O)C1CCN(CC1)C(=O)/C=C/C2=CC=CC=C2)C3=CSC=C3

InChI

InChI=1S/C23H29N3O2S/c1-25(2)21(20-12-15-29-17-20)16-24-23(28)19-10-13-26(14-11-19)22(27)9-8-18-6-4-3-5-7-18/h3-9,12,15,17,19,21H,10-11,13-14,16H2,1-2H3,(H,24,28)/b9-8+