3-[[4-[4-(2-oxidanyl-3-phenoxy-propyl)piperazin-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[4-(2-oxidanyl-3-phenoxy-propyl)piperazin-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[4-(2-hydroxy-3-phenoxy-propyl)piperazin-1-yl]-1-piperidyl]methyl]benzonitrile CAS Name: 3-[[4-[4-(2-hydroxy-3-phenoxypropyl)-1-piperazinyl]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]piperidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[4-(2-hydroxy-3-phenoxy-propyl)piperazino]piperidino]methyl]benzonitrile Formula: C26H34N4O2 MolecularWeight: 434.57376

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)CC(COC3=CC=CC=C3)O)CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)CC(COC3=CC=CC=C3)O)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C26H34N4O2/c27-18-22-5-4-6-23(17-22)19-28-11-9-24(10-12-28)30-15-13-29(14-16-30)20-25(31)21-32-26-7-2-1-3-8-26/h1-8,17,24-25,31H,9-16,19-21H2