N-[4-(4-butylphenyl)-3-cyano-thiophen-2-yl]-1-ethanoyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(4-butylphenyl)-3-cyano-thiophen-2-yl]-1-ethanoyl-piperidine-4-carboxamide Openeye Name: 1-acetyl-N-[4-(4-butylphenyl)-3-cyano-2-thienyl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-[4-(4-butylphenyl)-3-cyano-2-thiophenyl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-[4-(4-butylphenyl)-3-cyanothiophen-2-yl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-[4-(4-butylphenyl)-3-cyano-2-thienyl]isonipecotamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CSC(=C2C#N)NC(=O)C3CCN(CC3)C(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CSC(=C2C#N)NC(=O)C3CCN(CC3)C(=O)C

InChI

InChI=1S/C23H27N3O2S/c1-3-4-5-17-6-8-18(9-7-17)21-15-29-23(20(21)14-24)25-22(28)19-10-12-26(13-11-19)16(2)27/h6-9,15,19H,3-5,10-13H2,1-2H3,(H,25,28)