1-[4-[4-[[(5S,7R)-3-bromanyl-1-adamantyl]carbonyl]piperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[[(5S,7R)-3-bromanyl-1-adamantyl]carbonyl]piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(5S,7R)-3-bromoadamantane-1-carbonyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[[(5S,7R)-3-bromo-1-adamantyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(5S,7R)-3-bromoadamantane-1-carbonyl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(5S,7R)-3-bromoadamantane-1-carbonyl]piperazino]phenyl]ethanone Formula: C23H29BrN2O2 MolecularWeight: 445.39256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29BrN2O2/c1-16(27)19-2-4-20(5-3-19)25-6-8-26(9-7-25)21(28)22-11-17-10-18(12-22)14-23(24,13-17)15-22/h2-5,17-18H,6-15H2,1H3/t17-,18+,22?,23?