4-[[4-[2-[(4-butoxyphenyl)-methyl-amino]ethyl]-4-oxidanyl-piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-[(4-butoxyphenyl)-methyl-amino]ethyl]-4-oxidanyl-piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(4-butoxy-N-methyl-anilino)ethyl]-4-hydroxy-1-piperidyl]methyl]benzonitrile CAS Name: 4-[[4-[2-(4-butoxy-N-methylanilino)ethyl]-4-hydroxy-1-piperidinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(4-butoxy-N-methylanilino)ethyl]-4-hydroxypiperidin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(4-butoxy-N-methyl-anilino)ethyl]-4-hydroxy-piperidino]methyl]benzonitrile Formula: C26H35N3O2 MolecularWeight: 421.575

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N(C)CCC2(CCN(CC2)CC3=CC=C(C=C3)C#N)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N(C)CCC2(CCN(CC2)CC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C26H35N3O2/c1-3-4-19-31-25-11-9-24(10-12-25)28(2)16-13-26(30)14-17-29(18-15-26)21-23-7-5-22(20-27)6-8-23/h5-12,30H,3-4,13-19,21H2,1-2H3