N-[2-[4-[2-(1-adamantyl)ethanoyl]piperazin-1-yl]ethyl]-4-fluoranyl-benzamide

Systemtic Name: N-[2-[4-[2-(1-adamantyl)ethanoyl]piperazin-1-yl]ethyl]-4-fluoranyl-benzamide Openeye Name: N-[2-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]ethyl]-4-fluoro-benzamide CAS Name: N-[2-[4-[2-(1-adamantyl)-1-oxoethyl]-1-piperazinyl]ethyl]-4-fluorobenzamide IUPAC Name: N-[2-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]ethyl]-4-fluorobenzamide Traditional Name: N-[2-[4-[2-(1-adamantyl)acetyl]piperazino]ethyl]-4-fluoro-benzamide Formula: C25H34FN3O2 MolecularWeight: 427.554763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)F)C(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)F)C(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H34FN3O2/c26-22-3-1-21(2-4-22)24(31)27-5-6-28-7-9-29(10-8-28)23(30)17-25-14-18-11-19(15-25)13-20(12-18)16-25/h1-4,18-20H,5-17H2,(H,27,31)