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

Systemtic Name: [(5S,7R)-3-bromanyl-1-adamantyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone Openeye Name: [(5S,7R)-3-bromo-1-adamantyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone CAS Name: [(5S,7R)-3-bromo-1-adamantyl]-[4-(4-methoxyphenyl)-1-piperazinyl]methanone IUPAC Name: [(5S,7R)-3-bromo-1-adamantyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone Traditional Name: [(5S,7R)-3-bromo-1-adamantyl]-[4-(4-methoxyphenyl)piperazino]methanone Formula: C22H29BrN2O2 MolecularWeight: 433.38186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29BrN2O2/c1-27-19-4-2-18(3-5-19)24-6-8-25(9-7-24)20(26)21-11-16-10-17(12-21)14-22(23,13-16)15-21/h2-5,16-17H,6-15H2,1H3/t16-,17+,21?,22?