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

Systemtic Name: N-[3-cyano-4-(3,4-dimethoxyphenyl)thiophen-2-yl]-1-ethanoyl-piperidine-4-carboxamide Openeye Name: 1-acetyl-N-[3-cyano-4-(3,4-dimethoxyphenyl)-2-thienyl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-[3-cyano-4-(3,4-dimethoxyphenyl)-2-thiophenyl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-[3-cyano-4-(3,4-dimethoxyphenyl)thiophen-2-yl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-[3-cyano-4-(3,4-dimethoxyphenyl)-2-thienyl]isonipecotamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(=O)NC2=C(C(=CS2)C3=CC(=C(C=C3)OC)OC)C#N

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)NC2=C(C(=CS2)C3=CC(=C(C=C3)OC)OC)C#N

InChI

InChI=1S/C21H23N3O4S/c1-13(25)24-8-6-14(7-9-24)20(26)23-21-16(11-22)17(12-29-21)15-4-5-18(27-2)19(10-15)28-3/h4-5,10,12,14H,6-9H2,1-3H3,(H,23,26)