1-adamantyl-[(2S,5S)-4-(1-adamantylcarbonyl)-2,5-dimethyl-piperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[(2S,5S)-4-(1-adamantylcarbonyl)-2,5-dimethyl-piperazin-1-yl]methanone Openeye Name: [(2S,5S)-4-(adamantane-1-carbonyl)-2,5-dimethyl-piperazin-1-yl]-(1-adamantyl)methanone CAS Name: 1-adamantyl-[(2S,5S)-4-[1-adamantyl(oxo)methyl]-2,5-dimethyl-1-piperazinyl]methanone IUPAC Name: [(2S,5S)-4-(adamantane-1-carbonyl)-2,5-dimethylpiperazin-1-yl]-(1-adamantyl)methanone Traditional Name: [(2S,5S)-4-(adamantane-1-carbonyl)-2,5-dimethyl-piperazino]-(1-adamantyl)methanone Formula: C28H42N2O2 MolecularWeight: 438.64528

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)C23CC4CC(C2)CC(C4)C3)C)C(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C[C@H]1CN([C@H](CN1C(=O)C23CC4CC(C2)CC(C4)C3)C)C(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C28H42N2O2/c1-17-15-30(26(32)28-12-22-6-23(13-28)8-24(7-22)14-28)18(2)16-29(17)25(31)27-9-19-3-20(10-27)5-21(4-19)11-27/h17-24H,3-16H2,1-2H3/t17-,18-,19?,20?,21?,22?,23?,24?,27?,28?/m0/s1