1-[4-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl]carbonyl-4-piperidin-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[4-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl]carbonyl-4-piperidin-1-yl-piperidine-4-carboxamide Openeye Name: 1-[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]-4-(1-piperidyl)piperidine-4-carboxamide CAS Name: 1-[[4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-oxomethyl]-4-(1-piperidinyl)-4-piperidinecarboxamide IUPAC Name: 1-[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]-4-piperidin-1-ylpiperidine-4-carboxamide Traditional Name: 1-[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]-4-piperidino-isonipecotamide Formula: C26H35N3O3 MolecularWeight: 437.5744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC2=CC=C(C=C2)C(=O)N3CCC(CC3)(C(=O)N)N4CCCCC4)O

Isomeric SMILES

C1CCC(CC1)(C#CC2=CC=C(C=C2)C(=O)N3CCC(CC3)(C(=O)N)N4CCCCC4)O

InChI

InChI=1S/C26H35N3O3/c27-24(31)26(29-17-5-2-6-18-29)15-19-28(20-16-26)23(30)22-9-7-21(8-10-22)11-14-25(32)12-3-1-4-13-25/h7-10,32H,1-6,12-13,15-20H2,(H2,27,31)