1-[[2-(phenyl-piperazin-1-yl-propan-2-yloxy-methyl)phenyl]methyl]piperidin-2-one

Systemtic Name: 1-[[2-(phenyl-piperazin-1-yl-propan-2-yloxy-methyl)phenyl]methyl]piperidin-2-one Openeye Name: 1-[[2-(isopropoxy-phenyl-piperazin-1-yl-methyl)phenyl]methyl]piperidin-2-one CAS Name: 1-[[2-[phenyl-(1-piperazinyl)-propan-2-yloxymethyl]phenyl]methyl]-2-piperidinone IUPAC Name: 1-[[2-(phenyl-piperazin-1-yl-propan-2-yloxymethyl)phenyl]methyl]piperidin-2-one Traditional Name: 1-[2-(isopropoxy-phenyl-piperazino-methyl)benzyl]-2-piperidone Formula: C26H35N3O2 MolecularWeight: 421.575

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(C1=CC=CC=C1)(C2=CC=CC=C2CN3CCCCC3=O)N4CCNCC4

Isomeric SMILES

CC(C)OC(C1=CC=CC=C1)(C2=CC=CC=C2CN3CCCCC3=O)N4CCNCC4

InChI

InChI=1S/C26H35N3O2/c1-21(2)31-26(23-11-4-3-5-12-23,29-18-15-27-16-19-29)24-13-7-6-10-22(24)20-28-17-9-8-14-25(28)30/h3-7,10-13,21,27H,8-9,14-20H2,1-2H3