[(5S,7R)-3-(4-methoxyphenyl)-1-adamantyl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [(5S,7R)-3-(4-methoxyphenyl)-1-adamantyl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [(5S,7R)-3-(4-methoxyphenyl)-1-adamantyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [(5S,7R)-3-(4-methoxyphenyl)-1-adamantyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [(5S,7R)-3-(4-methoxyphenyl)-1-adamantyl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [(5S,7R)-3-(4-methoxyphenyl)-1-adamantyl]-(4-phenylpiperazino)methanone Formula: C28H34N2O2 MolecularWeight: 430.58176

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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=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)C(=O)N5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C28H34N2O2/c1-32-25-9-7-23(8-10-25)27-16-21-15-22(17-27)19-28(18-21,20-27)26(31)30-13-11-29(12-14-30)24-5-3-2-4-6-24/h2-10,21-22H,11-20H2,1H3/t21-,22+,27?,28?