N-[3-cyano-4-(2,5-dimethylphenyl)thiophen-2-yl]-1-ethanoyl-piperidine-4-carboxamide

Systemtic Name: N-[3-cyano-4-(2,5-dimethylphenyl)thiophen-2-yl]-1-ethanoyl-piperidine-4-carboxamide Openeye Name: 1-acetyl-N-[3-cyano-4-(2,5-dimethylphenyl)-2-thienyl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-[3-cyano-4-(2,5-dimethylphenyl)-2-thiophenyl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-[3-cyano-4-(2,5-dimethylphenyl)thiophen-2-yl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-[3-cyano-4-(2,5-dimethylphenyl)-2-thienyl]isonipecotamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CSC(=C2C#N)NC(=O)C3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CSC(=C2C#N)NC(=O)C3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H23N3O2S/c1-13-4-5-14(2)17(10-13)19-12-27-21(18(19)11-22)23-20(26)16-6-8-24(9-7-16)15(3)25/h4-5,10,12,16H,6-9H2,1-3H3,(H,23,26)