2-[3-(cyanomethyl)-1-methyl-9-oxidanylidene-5-phenyl-3,7-diazabicyclo[3.3.1]nonan-7-yl]ethanenitrile

Systemtic Name: 2-[3-(cyanomethyl)-1-methyl-9-oxidanylidene-5-phenyl-3,7-diazabicyclo[3.3.1]nonan-7-yl]ethanenitrile Openeye Name: 2-[3-(cyanomethyl)-1-methyl-9-oxo-5-phenyl-3,7-diazabicyclo[3.3.1]nonan-7-yl]acetonitrile CAS Name: 2-[3-(cyanomethyl)-1-methyl-9-oxo-5-phenyl-3,7-diazabicyclo[3.3.1]nonan-7-yl]acetonitrile IUPAC Name: 2-[3-(cyanomethyl)-1-methyl-9-oxo-5-phenyl-3,7-diazabicyclo[3.3.1]nonan-7-yl]acetonitrile Traditional Name: 2-[3-(cyanomethyl)-9-keto-1-methyl-5-phenyl-3,7-diazabicyclo[3.3.1]nonan-7-yl]acetonitrile Formula: C18H20N4O MolecularWeight: 308.3776

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Descriptors Computed from Structure

Canonical SMILES:

CC12CN(CC(C1=O)(CN(C2)CC#N)C3=CC=CC=C3)CC#N

Isomeric SMILES

CC12CN(CC(C1=O)(CN(C2)CC#N)C3=CC=CC=C3)CC#N

InChI

InChI=1S/C18H20N4O/c1-17-11-21(9-7-19)13-18(16(17)23,14-22(12-17)10-8-20)15-5-3-2-4-6-15/h2-6H,9-14H2,1H3