N-[(5S,7R)-3-(4-fluorophenyl)-1-adamantyl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamide

Systemtic Name: N-[(5S,7R)-3-(4-fluorophenyl)-1-adamantyl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamide Openeye Name: N-[(5S,7R)-3-(4-fluorophenyl)-1-adamantyl]-2-[4-(2-pyridyl)piperazin-1-yl]acetamide CAS Name: N-[(5S,7R)-3-(4-fluorophenyl)-1-adamantyl]-2-[4-(2-pyridinyl)-1-piperazinyl]acetamide IUPAC Name: N-[(5S,7R)-3-(4-fluorophenyl)-1-adamantyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide Traditional Name: N-[(5S,7R)-3-(4-fluorophenyl)-1-adamantyl]-2-[4-(2-pyridyl)piperazino]acetamide Formula: C27H33FN4O MolecularWeight: 448.575523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC23CC4CC(C2)CC(C4)(C3)C5=CC=C(C=C5)F)C6=CC=CC=N6

Isomeric SMILES

C1CN(CCN1CC(=O)NC23C[C@@H]4C[C@H](C2)CC(C4)(C3)C5=CC=C(C=C5)F)C6=CC=CC=N6

InChI

InChI=1S/C27H33FN4O/c28-23-6-4-22(5-7-23)26-14-20-13-21(15-26)17-27(16-20,19-26)30-25(33)18-31-9-11-32(12-10-31)24-3-1-2-8-29-24/h1-8,20-21H,9-19H2,(H,30,33)/t20-,21+,26?,27?