4-[3-[3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]propylsulfonyl]benzenecarbonitrile

Systemtic Name: 4-[3-[3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]propylsulfonyl]benzenecarbonitrile Openeye Name: 4-[3-[3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]propylsulfonyl]benzonitrile CAS Name: 4-[3-[3-[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]propylsulfonyl]benzonitrile IUPAC Name: 4-[3-[3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]propylsulfonyl]benzonitrile Traditional Name: 4-[3-[3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]propylsulfonyl]benzonitrile Formula: C23H31N5O3S MolecularWeight: 457.58894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCN2CC3CN(CC(C2)O3)CCCS(=O)(=O)C4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1=CC(=NN1CCN2CC3CN(CC(C2)O3)CCCS(=O)(=O)C4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C23H31N5O3S/c1-18-12-19(2)28(25-18)10-9-27-16-21-14-26(15-22(17-27)31-21)8-3-11-32(29,30)23-6-4-20(13-24)5-7-23/h4-7,12,21-22H,3,8-11,14-17H2,1-2H3