N-(2-dimethylaminoethyl)-3-[1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-4-yl]propanamide

Systemtic Name: N-(2-dimethylaminoethyl)-3-[1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-4-yl]propanamide Openeye Name: N-(2-dimethylaminoethyl)-3-[1-[[2-(2-phenylethynyl)phenyl]methyl]-4-piperidyl]propanamide CAS Name: N-(2-dimethylaminoethyl)-3-[1-[[2-(2-phenylethynyl)phenyl]methyl]-4-piperidinyl]propanamide IUPAC Name: N-(2-dimethylaminoethyl)-3-[1-[[2-(2-phenylethynyl)phenyl]methyl]piperidin-4-yl]propanamide Traditional Name: N-(2-dimethylaminoethyl)-3-[1-[2-(2-phenylethynyl)benzyl]-4-piperidyl]propionamide Formula: C27H35N3O MolecularWeight: 417.5863

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)CCC1CCN(CC1)CC2=CC=CC=C2C#CC3=CC=CC=C3

Isomeric SMILES

CN(C)CCNC(=O)CCC1CCN(CC1)CC2=CC=CC=C2C#CC3=CC=CC=C3

InChI

InChI=1S/C27H35N3O/c1-29(2)21-18-28-27(31)15-13-24-16-19-30(20-17-24)22-26-11-7-6-10-25(26)14-12-23-8-4-3-5-9-23/h3-11,24H,13,15-22H2,1-2H3,(H,28,31)