4-[3-[3-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[3-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[2-hydroxy-3-[3-[2-(4-methoxyphenyl)-2-oxo-ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]propoxy]benzonitrile CAS Name: 4-[2-hydroxy-3-[3-[2-(4-methoxyphenyl)-2-oxoethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]propoxy]benzonitrile IUPAC Name: 4-[2-hydroxy-3-[3-[2-(4-methoxyphenyl)-2-oxoethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]propoxy]benzonitrile Traditional Name: 4-[2-hydroxy-3-[3-[2-keto-2-(4-methoxyphenyl)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]propoxy]benzonitrile Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CN2CC3CN(CC(C2)O3)CC(COC4=CC=C(C=C4)C#N)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CN2CC3CN(CC(C2)O3)CC(COC4=CC=C(C=C4)C#N)O

InChI

InChI=1S/C25H29N3O5/c1-31-21-8-4-19(5-9-21)25(30)16-28-14-23-12-27(13-24(15-28)33-23)11-20(29)17-32-22-6-2-18(10-26)3-7-22/h2-9,20,23-24,29H,11-17H2,1H3