N-[(5S,7R)-3-[4-(phenylcarbonyl)piperazin-1-yl]carbonyl-1-adamantyl]ethanamide

Systemtic Name: N-[(5S,7R)-3-[4-(phenylcarbonyl)piperazin-1-yl]carbonyl-1-adamantyl]ethanamide Openeye Name: N-[(5S,7R)-3-(4-benzoylpiperazine-1-carbonyl)-1-adamantyl]acetamide CAS Name: N-[(5S,7R)-3-[(4-benzoyl-1-piperazinyl)-oxomethyl]-1-adamantyl]acetamide IUPAC Name: N-[(5S,7R)-3-(4-benzoylpiperazine-1-carbonyl)-1-adamantyl]acetamide Traditional Name: N-[(5S,7R)-3-(4-benzoylpiperazine-1-carbonyl)-1-adamantyl]acetamide Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C24H31N3O3/c1-17(28)25-24-14-18-11-19(15-24)13-23(12-18,16-24)22(30)27-9-7-26(8-10-27)21(29)20-5-3-2-4-6-20/h2-6,18-19H,7-16H2,1H3,(H,25,28)/t18-,19+,23?,24?