[3-(4-methoxyphenyl)-1-adamantyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-(4-methoxyphenyl)-1-adamantyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone Openeye Name: [3-(4-methoxyphenyl)-1-adamantyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone CAS Name: [3-(4-methoxyphenyl)-1-adamantyl]-[4-(2-pyrazinyl)-1-piperazinyl]methanone IUPAC Name: [3-(4-methoxyphenyl)-1-adamantyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone Traditional Name: [3-(4-methoxyphenyl)-1-adamantyl]-(4-pyrazin-2-ylpiperazino)methanone Formula: C26H32N4O2 MolecularWeight: 432.55788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)N5CCN(CC5)C6=NC=CN=C6

Isomeric SMILES

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)N5CCN(CC5)C6=NC=CN=C6

InChI

InChI=1S/C26H32N4O2/c1-32-22-4-2-21(3-5-22)25-13-19-12-20(14-25)16-26(15-19,18-25)24(31)30-10-8-29(9-11-30)23-17-27-6-7-28-23/h2-7,17,19-20H,8-16,18H2,1H3