2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl 2-[(5S,7R)-3-methyl-1-adamantyl]ethanoate

Systemtic Name: 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl 2-[(5S,7R)-3-methyl-1-adamantyl]ethanoate Openeye Name: 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl 2-[(5S,7R)-3-methyl-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-methyl-1-adamantyl]acetic acid 2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl 2-[(5S,7R)-3-methyl-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-methyl-1-adamantyl]acetic acid 2-[4-(2-pyrimidyl)piperazino]ethyl ester Formula: C23H34N4O2 MolecularWeight: 398.54166

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)CC(C3)(C2)CC(=O)OCCN4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC12C[C@H]3C[C@@H](C1)CC(C3)(C2)CC(=O)OCCN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C23H34N4O2/c1-22-12-18-11-19(13-22)15-23(14-18,17-22)16-20(28)29-10-9-26-5-7-27(8-6-26)21-24-3-2-4-25-21/h2-4,18-19H,5-17H2,1H3/t18-,19+,22?,23?