2-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]piperazin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-oxobutyl]-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]piperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]piperazino]-6-fluoro-benzonitrile Formula: C21H26FN5O2 MolecularWeight: 399.461843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=N1)CCCC(=O)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N

Isomeric SMILES

CC(C)(C)C1=NOC(=N1)CCCC(=O)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C21H26FN5O2/c1-21(2,3)20-24-18(29-25-20)8-5-9-19(28)27-12-10-26(11-13-27)17-7-4-6-16(22)15(17)14-23/h4,6-7H,5,8-13H2,1-3H3