4-[4-(1-adamantylcarbonyl)piperazin-1-yl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[4-(1-adamantylcarbonyl)piperazin-1-yl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[4-(adamantane-1-carbonyl)piperazin-1-yl]-3-fluoro-benzonitrile CAS Name: 4-[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-3-fluorobenzonitrile IUPAC Name: 4-[4-(adamantane-1-carbonyl)piperazin-1-yl]-3-fluorobenzonitrile Traditional Name: 4-[4-(adamantane-1-carbonyl)piperazino]-3-fluoro-benzonitrile Formula: C22H26FN3O MolecularWeight: 367.459743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN3O/c23-19-10-15(14-24)1-2-20(19)25-3-5-26(6-4-25)21(27)22-11-16-7-17(12-22)9-18(8-16)13-22/h1-2,10,16-18H,3-9,11-13H2