3-[1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-4-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-4-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[1-[[2-(2-phenylethynyl)phenyl]methyl]-4-piperidyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[1-[[2-(2-phenylethynyl)phenyl]methyl]-4-piperidinyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[1-[2-(2-phenylethynyl)benzyl]-4-piperidyl]-1-pyrrolidino-propan-1-one Formula: C27H32N2O MolecularWeight: 400.55578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCC2CCN(CC2)CC3=CC=CC=C3C#CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CCC2CCN(CC2)CC3=CC=CC=C3C#CC4=CC=CC=C4

InChI

InChI=1S/C27H32N2O/c30-27(29-18-6-7-19-29)15-13-24-16-20-28(21-17-24)22-26-11-5-4-10-25(26)14-12-23-8-2-1-3-9-23/h1-5,8-11,24H,6-7,13,15-22H2