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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)(C4)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C34C[C@@H]5C[C@H](C3)CC(C5)(C4)C6=CC=CC=C6

InChI

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