2-(3-diphenoxyphosphoryl-1,5-dimethyl-9-oxidanylidene-3,7-diazabicyclo[3.3.1]nonan-7-yl)ethanenitrile

Systemtic Name: 2-(3-diphenoxyphosphoryl-1,5-dimethyl-9-oxidanylidene-3,7-diazabicyclo[3.3.1]nonan-7-yl)ethanenitrile Openeye Name: 2-(3-diphenoxyphosphoryl-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonan-7-yl)acetonitrile CAS Name: 2-(3-diphenoxyphosphoryl-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonan-7-yl)acetonitrile IUPAC Name: 2-(3-diphenoxyphosphoryl-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonan-7-yl)acetonitrile Traditional Name: 2-(3-diphenoxyphosphoryl-9-keto-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-7-yl)acetonitrile Formula: C23H26N3O4P MolecularWeight: 439.444001

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Descriptors Computed from Structure

Canonical SMILES:

CC12CN(CC(C1=O)(CN(C2)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)C)CC#N

Isomeric SMILES

CC12CN(CC(C1=O)(CN(C2)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)C)CC#N

InChI

InChI=1S/C23H26N3O4P/c1-22-15-25(14-13-24)16-23(2,21(22)27)18-26(17-22)31(28,29-19-9-5-3-6-10-19)30-20-11-7-4-8-12-20/h3-12H,14-18H2,1-2H3