5-[4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 5-[4-[[2-(hydroxymethyl)phenyl]methyl]-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 2-isopropyl-5-[4-(2-methylolbenzyl)piperazino]-2-phenyl-valeronitrile Formula: C26H35N3O MolecularWeight: 405.5756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CC2=CC=CC=C2CO)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CC2=CC=CC=C2CO)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C26H35N3O/c1-22(2)26(21-27,25-11-4-3-5-12-25)13-8-14-28-15-17-29(18-16-28)19-23-9-6-7-10-24(23)20-30/h3-7,9-12,22,30H,8,13-20H2,1-2H3