4-[2-[3-(3-methylbutanoyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[3-(3-methylbutanoyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[3-(3-methylbutanoyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]ethoxy]benzonitrile CAS Name: 4-[2-[3-(3-methyl-1-oxobutyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]ethoxy]benzonitrile IUPAC Name: 4-[2-[3-(3-methylbutanoyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]ethoxy]benzonitrile Traditional Name: 4-[2-(3-isovaleryl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethoxy]benzonitrile Formula: C20H27N3O2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CC2CCC(C1)N2CCOC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)CC(=O)N1CC2CCC(C1)N2CCOC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H27N3O2/c1-15(2)11-20(24)22-13-17-5-6-18(14-22)23(17)9-10-25-19-7-3-16(12-21)4-8-19/h3-4,7-8,15,17-18H,5-6,9-11,13-14H2,1-2H3