4-[4-(1-adamantylcarbonyl)piperazin-1-yl]-2-chloranyl-5-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[4-(1-adamantylcarbonyl)piperazin-1-yl]-2-chloranyl-5-fluoranyl-benzenecarbonitrile Openeye Name: 4-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-chloro-5-fluoro-benzonitrile CAS Name: 4-[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-2-chloro-5-fluorobenzonitrile IUPAC Name: 4-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-chloro-5-fluorobenzonitrile Traditional Name: 4-[4-(adamantane-1-carbonyl)piperazino]-2-chloro-5-fluoro-benzonitrile Formula: C22H25ClFN3O MolecularWeight: 401.904803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C(=C2)Cl)C#N)F)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C(=C2)Cl)C#N)F)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H25ClFN3O/c23-18-9-20(19(24)8-17(18)13-25)26-1-3-27(4-2-26)21(28)22-10-14-5-15(11-22)7-16(6-14)12-22/h8-9,14-16H,1-7,10-12H2