4-[3-(3-butanoyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-(3-butanoyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-(3-butanoyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[2-hydroxy-3-[3-(1-oxobutyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propoxy]benzonitrile IUPAC Name: 4-[3-(3-butanoyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[3-(3-butyryl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-hydroxy-propoxy]benzonitrile Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CC2CCC(C1)N2CC(COC3=CC=C(C=C3)C#N)O

Isomeric SMILES

CCCC(=O)N1CC2CCC(C1)N2CC(COC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C20H27N3O3/c1-2-3-20(25)22-11-16-6-7-17(12-22)23(16)13-18(24)14-26-19-8-4-15(10-21)5-9-19/h4-5,8-9,16-18,24H,2-3,6-7,11-14H2,1H3