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

Systemtic Name: 3-[[4-[4-(2-oxidanyl-3-phenoxy-propyl)-1,4-diazepan-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[4-(2-hydroxy-3-phenoxy-propyl)-1,4-diazepan-1-yl]-1-piperidyl]methyl]benzonitrile CAS Name: 3-[[4-[4-(2-hydroxy-3-phenoxypropyl)-1,4-diazepan-1-yl]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[4-(2-hydroxy-3-phenoxypropyl)-1,4-diazepan-1-yl]piperidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[4-(2-hydroxy-3-phenoxy-propyl)-1,4-diazepan-1-yl]piperidino]methyl]benzonitrile Formula: C27H36N4O2 MolecularWeight: 448.60034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2CCN(CC2)CC3=CC=CC(=C3)C#N)CC(COC4=CC=CC=C4)O

Isomeric SMILES

C1CN(CCN(C1)C2CCN(CC2)CC3=CC=CC(=C3)C#N)CC(COC4=CC=CC=C4)O

InChI

InChI=1S/C27H36N4O2/c28-19-23-6-4-7-24(18-23)20-30-14-10-25(11-15-30)31-13-5-12-29(16-17-31)21-26(32)22-33-27-8-2-1-3-9-27/h1-4,6-9,18,25-26,32H,5,10-17,20-22H2