2-(dipropylamino)-1-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]ethanone

Systemtic Name: 2-(dipropylamino)-1-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]ethanone Openeye Name: 2-(dipropylamino)-1-[(5S,7R)-3-(p-tolyl)-1-adamantyl]ethanone CAS Name: 2-(dipropylamino)-1-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]ethanone IUPAC Name: 2-(dipropylamino)-1-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]ethanone Traditional Name: 2-(dipropylamino)-1-[(5S,7R)-3-(p-tolyl)-1-adamantyl]ethanone Formula: C25H37NO MolecularWeight: 367.56738

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)C

Isomeric SMILES

CCCN(CCC)CC(=O)C12C[C@@H]3C[C@H](C1)CC(C3)(C2)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H37NO/c1-4-10-26(11-5-2)17-23(27)25-15-20-12-21(16-25)14-24(13-20,18-25)22-8-6-19(3)7-9-22/h6-9,20-21H,4-5,10-18H2,1-3H3/t20-,21+,24?,25?