N-(cyanomethyl)-2-[3-[4-[1-(2-hydroxyethyl)piperidin-4-yl]oxyphenyl]phenyl]-4-methyl-pentanamide

Systemtic Name: N-(cyanomethyl)-2-[3-[4-[1-(2-hydroxyethyl)piperidin-4-yl]oxyphenyl]phenyl]-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[3-[4-[[1-(2-hydroxyethyl)-4-piperidyl]oxy]phenyl]phenyl]-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[3-[4-[[1-(2-hydroxyethyl)-4-piperidinyl]oxy]phenyl]phenyl]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[3-[4-[1-(2-hydroxyethyl)piperidin-4-yl]oxyphenyl]phenyl]-4-methylpentanamide Traditional Name: N-(cyanomethyl)-2-[3-[4-[[1-(2-hydroxyethyl)-4-piperidyl]oxy]phenyl]phenyl]-4-methyl-valeramide Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)OC3CCN(CC3)CCO)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)OC3CCN(CC3)CCO)C(=O)NCC#N

InChI

InChI=1S/C27H35N3O3/c1-20(2)18-26(27(32)29-13-12-28)23-5-3-4-22(19-23)21-6-8-24(9-7-21)33-25-10-14-30(15-11-25)16-17-31/h3-9,19-20,25-26,31H,10-11,13-18H2,1-2H3,(H,29,32)