N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-pyrrol-1-ylthiophen-2-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-pyrrol-1-ylthiophen-2-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[oxo-[3-(1-pyrrolyl)-2-thiophenyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-homoveratryl-1-(3-pyrrol-1-ylthiophene-2-carbonyl)isonipecotamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)C(=O)C3=C(C=CS3)N4C=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)C(=O)C3=C(C=CS3)N4C=CC=C4)OC

InChI

InChI=1S/C25H29N3O4S/c1-31-21-6-5-18(17-22(21)32-2)7-11-26-24(29)19-8-14-28(15-9-19)25(30)23-20(10-16-33-23)27-12-3-4-13-27/h3-6,10,12-13,16-17,19H,7-9,11,14-15H2,1-2H3,(H,26,29)